data_2le2_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 2le2 _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 ' 8' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 CA--C 1.54 0.592 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -149.35 -174.49 4.68 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 128.749 2.819 . . . . 0.0 109.308 -169.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -45.35 126.57 6.54 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.542 1.537 . . . . 0.0 113.086 -168.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.25 127.37 31.97 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.883 0.873 . . . . 0.0 109.27 168.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -126.62 129.01 71.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 125.331 1.453 . . . . 0.0 108.335 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 m -136.82 102.82 5.0 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -174.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.4 mtm -108.52 165.28 11.64 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.482 0.658 . . . . 0.0 112.574 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -145.72 118.98 8.91 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 127.003 2.121 . . . . 0.0 109.146 -176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -126.1 160.3 30.51 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.051 0.94 . . . . 0.0 109.893 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -102.6 128.0 49.46 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.54 0.736 . . . . 0.0 111.734 -171.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -75.21 163.37 27.59 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.427 1.091 . . . . 0.0 112.332 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -58.02 -25.07 60.67 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.517 1.127 . . . . 0.0 113.176 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.35 -9.85 37.3 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.68 14.63 69.94 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 124.89 1.234 . . . . 0.0 113.674 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -121.65 157.84 29.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 125.162 1.385 . . . . 0.0 111.072 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.0 150.75 24.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.504 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -128.62 146.97 50.71 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.901 1.68 . . . . 0.0 109.67 167.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -85.9 156.09 20.66 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.993 0.917 . . . . 0.0 113.01 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -132.07 77.34 1.75 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.442 2.297 . . . . 0.0 107.69 164.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -73.68 127.17 32.04 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.456 1.103 . . . . 0.0 110.634 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -144.72 94.5 2.56 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.719 1.608 . . . . 0.0 110.137 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -79.54 162.72 25.2 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.058 -0.401 . . . . 0.0 110.332 168.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.49 33.2 72.01 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-O 119.451 -0.638 . . . . 0.0 113.75 172.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.23 -176.16 3.14 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 122.175 0.988 . . . . 0.0 110.586 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.4 p -132.51 175.73 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 124.186 0.994 . . . . 0.0 110.498 165.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.13 -35.52 75.47 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.659 -0.651 . . . . 0.0 112.133 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.2 m -67.83 -35.41 78.55 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.811 -0.556 . . . . 0.0 112.138 174.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -74.96 -31.43 61.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.537 0.735 . . . . 0.0 111.788 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -59.12 -46.32 88.63 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.679 0.792 . . . . 0.0 111.624 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -56.96 -39.03 73.83 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.536 0.607 . . . . 0.0 112.18 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.45 -53.74 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 122.803 0.441 . . . . 0.0 110.492 172.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.06 -51.42 69.37 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.689 0.677 . . . . 0.0 112.161 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -60.47 -36.6 78.67 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.105 1.362 . . . . 0.0 112.361 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.14 -30.14 35.38 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.311 -0.716 . . . . 0.0 114.88 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -99.22 -26.3 14.23 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.708 1.254 . . . . 0.0 112.998 -169.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -71.44 -33.27 69.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.318 0.508 . . . . 0.0 111.562 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.23 -1.78 0.06 Allowed 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 118.832 2.901 . . . . 0.0 118.832 161.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.51 -178.22 6.98 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.71 87.51 0.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.134 0.974 . . . . 0.0 110.947 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.51 132.63 33.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.835 1.654 . . . . 0.0 111.23 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mm -119.22 -47.68 3.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 C-N-CA 126.839 2.055 . . . . 0.0 108.965 -171.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.525 ' NZ ' ' OD2' ' B' ' 53' ' ' ASP . 45.4 mttm -136.03 156.49 48.65 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 118.909 0.777 . . . . 0.0 110.989 167.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 pp -144.82 160.59 41.02 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.69 158.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.0 mtm-85 -138.85 151.03 46.65 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 126.566 1.946 . . . . 0.0 111.045 173.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 tt -137.06 140.75 42.24 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.682 1.593 . . . . 0.0 108.633 160.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -145.68 118.15 8.52 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.67 1.588 . . . . 0.0 108.374 -172.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 145.6 53.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.379 174.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 122.775 1.274 . . . . 0.0 112.957 -170.237 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 N--CA 1.464 0.258 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -139.75 174.11 10.85 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.64 2.376 . . . . 0.0 108.553 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -45.84 150.72 0.51 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.212 1.805 . . . . 0.0 112.583 -167.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -104.58 138.98 40.11 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.525 1.93 . . . . 0.0 109.491 169.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -128.81 117.06 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 127.03 2.132 . . . . 0.0 108.616 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 27.6 m -111.35 130.0 55.82 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 29.7 ttm -139.05 149.6 44.8 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.396 0.617 . . . . 0.0 111.61 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -141.18 119.88 12.52 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.49 1.116 . . . . 0.0 109.73 -173.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.8 mt -127.5 165.69 19.39 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.226 1.41 . . . . 0.0 109.718 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -113.75 149.71 34.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 122.341 1.067 . . . . 0.0 112.51 -176.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.74 177.36 4.79 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.812 2.045 . . . . 0.0 111.541 -173.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.19 -30.96 69.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.465 1.106 . . . . 0.0 113.935 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -81.77 -8.7 59.72 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.959 0.799 . . . . 0.0 112.75 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.04 22.11 77.11 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.049 0.833 . . . . 0.0 114.064 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -98.09 -15.32 20.03 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.586 1.155 . . . . 0.0 113.472 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 76.76 157.37 0.18 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.928 2.491 . . . . 0.0 113.018 167.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -139.74 118.74 12.59 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 122.407 1.099 . . . . 0.0 110.563 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -93.18 140.73 29.2 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 127.964 2.505 . . . . 0.0 110.059 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -150.63 153.74 36.22 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 122.51 0.324 . . . . 0.0 110.755 165.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -120.19 150.85 39.99 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 122.709 1.243 . . . . 0.0 111.488 170.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -143.97 94.5 2.59 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.359 1.864 . . . . 0.0 107.706 -166.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.7 167.73 11.39 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.118 0.785 . . . . 0.0 113.118 -173.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.8 37.0 57.47 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 -175.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -138.81 -167.52 2.23 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.692 1.597 . . . . 0.0 109.964 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.3 p -135.06 178.93 6.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 74.0 mt -57.65 -37.78 73.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.218 1.007 . . . . 0.0 112.576 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 18.8 m -65.11 -30.29 71.22 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -82.34 -32.22 29.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.558 1.143 . . . . 0.0 111.683 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -57.35 -47.58 81.22 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.943 0.897 . . . . 0.0 111.6 164.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.12 -31.27 67.0 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.912 0.885 . . . . 0.0 112.688 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.19 -55.33 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.0 170.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.51 -43.44 97.08 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.325 0.966 . . . . 0.0 112.32 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -58.46 -46.42 86.61 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.506 0.722 . . . . 0.0 111.844 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.57 -27.1 70.08 Favored Glycine 0 CA--C 1.536 1.391 0 N-CA-C 114.632 0.613 . . . . 0.0 114.632 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -76.75 -23.69 53.0 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.553 1.541 . . . . 0.0 112.845 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 34.7 m -49.83 -65.19 0.61 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.677 1.591 . . . . 0.0 112.5 -170.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 45.09 29.05 0.45 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.39 1.876 . . . . 0.0 115.674 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -143.25 177.8 8.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.887 1.675 . . . . 0.0 110.461 -168.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.89 93.53 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.626 1.571 . . . . 0.0 111.631 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 tp -71.31 132.1 33.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 127.36 2.264 . . . . 0.0 111.741 170.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mm -124.89 -58.8 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.142 0 C-N-CA 126.302 1.841 . . . . 0.0 108.419 -176.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -137.45 154.47 49.92 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.102 0.953 . . . . 0.0 111.983 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.1 tt -150.39 136.61 18.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.448 1.899 . . . . 0.0 107.812 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -143.38 148.27 35.95 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.933 1.293 . . . . 0.0 110.201 173.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 tt -137.31 148.79 46.59 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.238 1.415 . . . . 0.0 109.296 167.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.525 ' OD2' ' NZ ' ' A' ' 49' ' ' LYS . 8.4 t0 -153.05 104.5 2.83 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.634 1.573 . . . . 0.0 108.052 -170.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.22 101.53 0.56 Allowed 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.178 -0.951 . . . . 0.0 108.893 169.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 32.8 m -55.02 144.48 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 114.473 -1.24 . . . . 0.0 112.95 -172.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.9 tp . . . . . 0 C--O 1.254 1.323 0 C-N-CA 129.905 3.282 . . . . 0.0 115.497 -177.344 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.547 0.836 0 N-CA-C 117.732 2.493 . . . . 0.0 117.732 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.8 p 65.67 176.08 0.22 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 131.183 3.793 . . . . 0.0 115.243 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 54' ' ' LYS . 61.1 m-85 -70.77 140.92 51.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 120.846 -1.159 . . . . 0.0 108.906 152.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -139.51 124.89 19.1 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 126.166 1.787 . . . . 0.0 107.651 -168.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 t -128.97 132.32 67.46 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 124.993 1.317 . . . . 0.0 109.858 -165.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 m -116.2 122.74 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.333 1.453 . . . . 0.0 107.751 164.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.1 ttp -131.67 153.36 50.07 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 pp -152.27 151.42 30.9 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.418 1.104 . . . . 0.0 111.436 169.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -126.45 175.77 7.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.59 1.956 . . . . 0.0 109.697 -169.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -115.75 138.78 50.79 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.224 1.01 . . . . 0.0 111.183 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -80.86 161.15 24.55 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.348 1.859 . . . . 0.0 110.92 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.96 -31.22 62.79 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.528 1.531 . . . . 0.0 113.073 168.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' OD2' ' NZ ' ' A' ' 22' ' ' LYS . 30.1 t70 -74.51 -8.87 57.75 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 173.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.75 3.22 71.28 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.165 1.364 . . . . 0.0 114.447 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 62.9 mttp -83.05 160.17 22.0 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.39 1.076 . . . . 0.0 110.495 174.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -86.22 153.46 22.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.957 0.408 . . . . 0.0 111.215 170.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -138.35 148.82 44.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.485 0.66 . . . . 0.0 110.874 163.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -121.39 138.76 54.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.841 1.256 . . . . 0.0 111.418 -156.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -138.56 75.45 1.52 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.242 1.817 . . . . 0.0 108.91 -167.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -81.98 134.1 35.35 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.651 -0.656 . . . . 0.0 109.881 166.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -146.91 120.17 8.93 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 125.792 1.637 . . . . 0.0 109.575 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -121.03 162.62 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.787 1.235 . . . . 0.0 109.851 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.49 32.07 8.43 Favored Glycine 0 N--CA 1.464 0.547 0 O-C-N 123.437 0.461 . . . . 0.0 112.33 164.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 pp -137.35 -174.71 3.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.784 1.234 . . . . 0.0 111.258 -168.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 p -138.47 -175.58 4.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.437 167.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.13 -33.85 72.72 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.7 m -66.77 -25.53 66.53 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 176.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.25 -31.35 27.03 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.913 0.885 . . . . 0.0 111.819 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -62.8 -40.65 98.0 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.346 -0.846 . . . . 0.0 111.488 168.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.09 -29.69 68.74 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.437 0.695 . . . . 0.0 112.608 175.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -73.47 -48.56 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.412 0.685 . . . . 0.0 110.641 170.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.1 tp -53.21 -52.66 58.19 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.953 0.797 . . . . 0.0 111.249 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.28 -59.01 5.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.338 1.055 . . . . 0.0 111.017 171.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.87 -18.95 55.16 Favored Glycine 0 C--N 1.343 0.956 0 C-N-CA 124.972 1.272 . . . . 0.0 115.473 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -113.16 -15.81 12.69 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.88 -11.49 2.99 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -164.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.08 72.71 0.61 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.526 1.057 . . . . 0.0 112.229 177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -122.4 99.96 6.69 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.532 1.533 . . . . 0.0 110.414 -170.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 56.17 64.55 1.68 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.628 1.571 . . . . 0.0 110.975 -161.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 tp -67.0 135.04 29.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 C-N-CA 124.659 1.183 . . . . 0.0 111.922 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.6 mm -118.65 -54.54 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 126.938 2.095 . . . . 0.0 109.129 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -135.71 150.56 49.59 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.878 0.871 . . . . 0.0 111.521 174.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tp -147.97 131.7 16.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.065 2.146 . . . . 0.0 108.018 173.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -143.61 111.05 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.552 1.941 . . . . 0.0 107.037 -175.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 tt -125.14 141.47 52.09 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.079 0.951 . . . . 0.0 109.691 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -137.28 140.16 41.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.051 1.34 . . . . 0.0 107.754 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 2.4 tmtt? -67.7 104.84 1.74 Allowed 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 143.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.235 0.313 0 CA-C-O 123.82 1.772 . . . . 0.0 108.677 166.807 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.777 0.798 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.7 m -153.19 174.54 14.13 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.066 1.346 . . . . 0.0 109.161 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -42.6 139.22 1.62 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.271 1.828 . . . . 0.0 114.145 -162.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -97.26 114.59 26.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 126.55 1.94 . . . . 0.0 109.86 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -107.8 142.43 20.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 C-N-CA 125.003 1.321 . . . . 0.0 109.813 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.2 m -138.59 109.99 6.97 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.361 1.464 . . . . 0.0 107.536 174.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 37.1 ttp -131.31 156.76 44.91 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.723 0.409 . . . . 0.0 110.939 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.46 161.14 42.56 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 123.71 1.719 . . . . 0.0 112.005 165.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.61 178.71 8.82 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 127.786 2.434 . . . . 0.0 107.544 169.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -88.8 127.66 35.62 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.85 -0.531 . . . . 0.0 112.168 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.77 -179.32 8.08 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.26 -48.39 0.49 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 130.316 3.446 . . . . 0.0 115.289 166.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -138.44 14.17 2.77 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.655 1.582 . . . . 0.0 112.271 -172.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.92 26.7 70.47 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.515 0.579 . . . . 0.0 112.262 -172.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -131.61 167.23 19.78 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 125.489 1.516 . . . . 0.0 110.07 -173.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -67.75 143.29 55.95 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.985 0.898 . . . . 0.0 111.968 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -141.43 112.74 7.48 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 113.987 -1.46 . . . . 0.0 108.758 -162.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -100.76 155.38 17.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 123.265 1.507 . . . . 0.0 114.056 -157.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -142.78 72.52 1.37 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.994 2.518 . . . . 0.0 107.774 -171.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -78.94 120.08 23.03 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.582 1.153 . . . . 0.0 109.472 169.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -147.03 95.01 2.5 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.986 0.914 . . . . 0.0 111.065 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 168.47 10.23 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 168.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.36 30.1 42.4 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-O 119.914 -0.381 . . . . 0.0 112.753 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -132.6 -172.33 2.88 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.443 1.097 . . . . 0.0 110.39 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.9 p -132.14 -176.89 4.22 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.042 -1.036 . . . . 0.0 112.098 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.401 ' H ' HD22 ' B' ' 33' ' ' LEU . 2.8 mm? -70.0 -33.74 72.41 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 120.563 -1.335 . . . . 0.0 112.757 -167.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 78.3 p -68.46 -26.79 65.68 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 170.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -78.53 -34.24 47.34 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.814 0.846 . . . . 0.0 111.231 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -60.91 -43.69 98.19 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.448 0.699 . . . . 0.0 111.371 168.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -57.88 -36.72 72.76 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 173.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.22 -48.51 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 122.729 0.412 . . . . 0.0 110.537 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 67.6 tp -57.31 -50.71 72.05 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.724 0.81 . . . . 0.0 112.075 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.4 -47.54 85.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.177 0.991 . . . . 0.0 111.472 174.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.38 -26.53 74.47 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-O 119.299 -0.723 . . . . 0.0 114.766 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -77.33 -17.73 58.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.333 1.053 . . . . 0.0 113.124 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 51.9 m -57.0 -50.18 73.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.596 1.558 . . . . 0.0 112.944 -171.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.17 26.41 2.87 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.01 1.724 . . . . 0.0 115.191 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -133.68 173.41 11.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.019 1.727 . . . . 0.0 110.202 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -70.73 113.81 8.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.693 0.759 . . . . 0.0 110.58 168.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.15 138.03 18.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.755 167.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.0 mm -113.88 -48.65 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 124.623 1.169 . . . . 0.0 108.755 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -151.15 138.37 19.3 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.188 0.449 . . . . 0.0 111.286 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -141.84 155.53 45.56 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 122.823 1.297 . . . . 0.0 112.28 165.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.9 ttp-105 -138.84 148.27 43.51 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.647 1.979 . . . . 0.0 109.11 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 tt -145.36 139.44 26.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.594 1.557 . . . . 0.0 109.173 172.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.57 139.25 42.03 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 126.035 1.734 . . . . 0.0 109.28 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.69 155.74 25.55 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.502 1.144 . . . . 0.0 111.564 154.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.3 m -118.09 165.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 113.282 -1.781 . . . . 0.0 110.207 -177.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 C--O 1.248 0.976 0 CA-C-O 116.094 -1.907 . . . . 0.0 111.849 175.031 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 . . . . . 0 CA--C 1.537 0.446 0 CA-C-O 121.321 0.581 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t 96.54 175.44 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 129.05 2.94 . . . . 0.0 108.799 -154.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -46.0 125.1 6.01 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.426 1.89 . . . . 0.0 114.196 -154.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -94.07 117.18 29.73 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.427 2.291 . . . . 0.0 107.144 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.3 t -133.29 94.62 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 127.933 2.493 . . . . 0.0 109.28 -167.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.1 m -85.39 141.39 30.03 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.596 0.758 . . . . 0.0 109.23 170.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.5 ttm -143.43 152.29 41.37 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 123.481 0.712 . . . . 0.0 110.744 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -144.2 122.53 12.32 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 126.753 2.021 . . . . 0.0 109.551 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mp -122.59 166.15 15.31 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.861 1.265 . . . . 0.0 109.533 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -108.89 129.41 55.41 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.356 0.598 . . . . 0.0 111.958 -175.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -71.21 160.48 32.76 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.961 1.304 . . . . 0.0 111.617 172.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -60.59 -25.85 66.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.053 0.941 . . . . 0.0 113.329 173.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -74.23 -2.38 24.62 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.322 1.049 . . . . 0.0 112.547 171.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.27 8.78 77.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 120.724 -1.235 . . . . 0.0 114.658 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -103.99 159.36 15.73 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.485 1.514 . . . . 0.0 111.514 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -75.71 151.62 37.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 111.7 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -131.65 143.42 50.29 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 122.117 0.961 . . . . 0.0 110.166 156.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -107.89 137.56 45.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 127.147 2.179 . . . . 0.0 110.582 -162.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -145.02 71.68 1.31 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.959 1.304 . . . . 0.0 108.891 -162.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -92.71 135.62 33.95 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.952 1.301 . . . . 0.0 112.274 -173.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -135.7 146.48 47.78 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 126.013 1.725 . . . . 0.0 109.808 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -140.6 153.83 46.23 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.062 0.945 . . . . 0.0 109.151 171.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.62 22.17 56.58 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 119.58 -0.567 . . . . 0.0 113.216 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.83 -175.64 5.68 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.148 0.975 . . . . 0.0 111.258 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 p -133.37 179.81 5.98 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.313 -0.867 . . . . 0.0 110.279 153.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.19 -31.88 73.14 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.185 -0.947 . . . . 0.0 112.314 -173.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.6 m -66.31 -33.74 76.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.27 1.028 . . . . 0.0 112.218 173.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -78.52 -32.7 48.16 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.081 0.952 . . . . 0.0 110.881 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -62.4 -44.33 96.69 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.168 0.987 . . . . 0.0 112.006 167.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -54.94 -44.97 74.78 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.037 0.835 . . . . 0.0 111.711 171.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.05 -53.45 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.34 173.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.7 tp -55.77 -52.58 63.48 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.386 0.994 . . . . 0.0 112.928 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.9 -34.48 78.06 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.352 1.061 . . . . 0.0 112.448 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.27 -23.09 52.75 Favored Glycine 0 CA--C 1.535 1.33 0 CA-C-O 119.201 -0.777 . . . . 0.0 114.657 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -87.55 -36.73 17.41 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.196 1.398 . . . . 0.0 111.34 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.5 p -73.0 -74.19 0.18 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.736 0.814 . . . . 0.0 111.383 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.33 -1.13 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 129.406 3.082 . . . . 0.0 117.335 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -81.82 68.72 8.3 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.86 2.464 . . . . 0.0 112.42 -166.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 61.9 60.5 1.54 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.789 1.236 . . . . 0.0 110.586 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.64 121.12 10.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 125.958 1.703 . . . . 0.0 110.962 175.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 mm -96.73 -69.88 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 105.591 -2.004 . . . . 0.0 105.591 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -135.23 158.03 45.41 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 pp -141.35 156.57 45.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.405 167.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.35 103.6 4.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.282 1.433 . . . . 0.0 108.755 -177.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 tt -109.9 136.42 49.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.799 1.64 . . . . 0.0 110.348 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.54 138.97 46.33 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 126.626 1.97 . . . . 0.0 109.4 171.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 149.38 49.95 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.686 155.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.3 t . . . . . 0 C--N 1.329 -0.304 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.84 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 CA--C 1.545 0.782 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m 69.95 -165.24 0.17 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.611 1.165 . . . . 0.0 111.325 168.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -94.89 146.16 24.41 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.577 1.151 . . . . 0.0 109.512 156.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -93.87 138.38 32.08 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.125 1.77 . . . . 0.0 108.081 157.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.9 112.48 31.96 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 126.302 1.841 . . . . 0.0 108.19 171.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 21.5 m -121.63 95.18 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.473 1.509 . . . . 0.0 107.546 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 38.9 ttp -122.19 156.87 32.83 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.552 1.141 . . . . 0.0 111.557 -166.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 tt -149.2 127.37 12.06 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.995 0.918 . . . . 0.0 111.461 -170.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -122.81 175.64 6.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.926 2.09 . . . . 0.0 110.937 -172.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -133.45 117.71 17.52 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 123.419 0.688 . . . . 0.0 110.169 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -71.65 168.46 17.65 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.416 0.686 . . . . 0.0 112.202 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.04 -26.98 68.57 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.881 1.672 . . . . 0.0 113.497 -172.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -80.36 -0.0 34.98 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.138 1.375 . . . . 0.0 113.398 171.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.8 2.38 72.24 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.762 1.649 . . . . 0.0 113.957 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.56 125.67 33.95 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.572 1.686 . . . . 0.0 110.987 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -71.41 142.17 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.076 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -147.99 162.56 39.09 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.692 0.797 . . . . 0.0 109.977 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.4 159.13 35.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 122.374 1.083 . . . . 0.0 113.637 -171.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -136.47 89.89 2.51 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 128.812 2.845 . . . . 0.0 107.189 -166.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -106.76 104.46 14.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.919 2.088 . . . . 0.0 109.232 -168.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -136.34 85.5 2.15 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 125.566 1.546 . . . . 0.0 111.802 -162.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -69.22 165.12 21.18 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.009 0.924 . . . . 0.0 110.667 163.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.92 17.7 80.19 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.059 -0.856 . . . . 0.0 114.34 171.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -100.36 178.99 4.59 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.576 1.15 . . . . 0.0 111.973 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.5 p -136.46 177.62 7.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.844 1.258 . . . . 0.0 111.288 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.73 -31.76 71.05 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.889 0.876 . . . . 0.0 113.286 -174.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.2 p -77.88 -30.95 51.04 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.819 1.247 . . . . 0.0 112.421 174.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -73.45 -32.2 64.23 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.265 -0.897 . . . . 0.0 111.442 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -59.44 -44.09 92.99 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.526 0.73 . . . . 0.0 111.984 169.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -58.98 -36.26 74.58 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.145 0.978 . . . . 0.0 111.783 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -63.28 -52.78 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.278 0.631 . . . . 0.0 110.437 172.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.16 -53.19 61.06 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.824 0.85 . . . . 0.0 112.142 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -66.33 -33.98 76.94 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.694 0.798 . . . . 0.0 112.398 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.8 -26.36 56.33 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.628 -1.095 . . . . 0.0 114.463 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -87.65 -32.16 19.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.306 1.553 . . . . 0.0 111.705 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.1 p -72.67 131.91 43.01 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.914 -0.492 . . . . 0.0 111.284 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.81 -5.33 11.55 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.496 1.119 . . . . 0.0 113.23 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -76.64 44.06 0.35 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.428 2.291 . . . . 0.0 112.495 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 47.98 -126.46 1.82 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 127.435 2.294 . . . . 0.0 111.83 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.8 tp -168.83 135.07 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.362 1.865 . . . . 0.0 109.398 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.6 mm -123.76 -55.68 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 125.169 1.388 . . . . 0.0 108.799 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -133.39 151.55 51.84 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.566 1.146 . . . . 0.0 111.191 173.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 tp -151.51 122.68 7.71 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 125.109 1.364 . . . . 0.0 109.373 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -111.58 135.36 52.26 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 124.052 0.941 . . . . 0.0 108.761 158.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -128.26 133.14 48.74 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 162.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -152.18 109.49 3.57 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.999 0.52 . . . . 0.0 110.852 -162.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -69.24 104.78 2.31 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.765 0.793 . . . . 0.0 109.795 174.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -65.48 152.73 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 126.479 1.912 . . . . 0.0 109.893 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--O 1.249 1.051 0 C-N-CA 129.327 3.051 . . . . 0.0 110.971 -167.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -152.53 175.77 12.4 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.449 1.5 . . . . 0.0 111.029 -165.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -44.18 132.89 5.53 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.143 1.777 . . . . 0.0 114.084 -169.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -82.77 140.11 33.19 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.556 1.142 . . . . 0.0 108.819 160.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -135.28 89.43 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 125.772 1.629 . . . . 0.0 107.706 167.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.4 m -85.31 96.77 9.63 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 173.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.2 ttm -98.23 164.13 12.44 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.972 0.909 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -149.4 125.87 10.92 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.591 1.556 . . . . 0.0 109.503 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.9 mt -130.91 177.45 7.42 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 125.225 1.41 . . . . 0.0 110.624 -173.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -130.73 133.88 46.42 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.714 0.805 . . . . 0.0 110.896 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.68 162.55 27.63 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.129 1.372 . . . . 0.0 111.77 174.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.76 -31.24 66.31 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.917 1.287 . . . . 0.0 113.429 175.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -70.99 -10.55 59.93 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.574 0.749 . . . . 0.0 112.78 173.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.03 0.38 66.02 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 125.413 1.482 . . . . 0.0 113.426 -176.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -70.95 115.82 10.53 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.941 1.296 . . . . 0.0 110.43 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -80.13 137.58 36.75 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 122.962 0.505 . . . . 0.0 110.663 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -143.05 146.88 34.23 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.765 0.793 . . . . 0.0 111.93 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -83.57 151.03 25.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.904 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -137.05 79.46 1.75 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.04 2.536 . . . . 0.0 107.82 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -73.4 120.64 19.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.35 1.06 . . . . 0.0 110.406 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -140.0 91.97 2.51 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 123.872 0.869 . . . . 0.0 110.358 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -112.66 171.05 7.76 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.613 1.165 . . . . 0.0 112.869 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.37 38.34 94.86 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.943 0.782 . . . . 0.0 112.423 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -138.35 -161.08 1.13 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.682 1.193 . . . . 0.0 110.809 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -137.81 178.63 6.97 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 120.72 -1.238 . . . . 0.0 113.906 -173.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -36.0 81.7 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.385 -0.822 . . . . 0.0 112.638 -176.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.6 m -64.54 -29.16 70.19 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.424 -0.798 . . . . 0.0 112.292 172.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -81.6 -33.92 31.26 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.508 1.123 . . . . 0.0 111.43 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -57.12 -47.36 81.29 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.197 0.999 . . . . 0.0 111.567 165.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.17 -33.63 69.44 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.755 0.822 . . . . 0.0 112.722 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.49 -54.67 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.603 0.638 . . . . 0.0 110.642 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.6 tp -54.87 -50.93 67.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.957 0.799 . . . . 0.0 111.761 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.76 -51.13 70.67 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.548 1.139 . . . . 0.0 112.007 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.25 -20.48 76.69 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 119.158 -0.801 . . . . 0.0 114.551 -175.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -113.5 -21.9 10.6 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.39 1.095 . . . . 0.0 113.917 -170.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 m -128.24 -26.95 2.75 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -165.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.4 55.68 1.02 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -65.81 -41.46 91.86 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.508 1.123 . . . . 0.0 112.787 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -131.08 80.26 1.93 Allowed 'General case' 0 C--O 1.232 0.135 0 C-N-CA 126.226 1.81 . . . . 0.0 108.544 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.6 tp -71.36 118.86 16.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.836 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.3 mm -106.86 -50.26 8.02 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 C-N-CA 126.947 2.099 . . . . 0.0 107.912 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -152.53 154.41 35.38 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.249 0.477 . . . . 0.0 110.982 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.41 148.3 34.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.322 0.582 . . . . 0.0 111.168 155.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.97 92.99 3.21 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 126.562 1.945 . . . . 0.0 107.729 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.3 tt -93.05 137.44 32.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.282 1.033 . . . . 0.0 109.623 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -145.36 134.29 22.51 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.951 1.3 . . . . 0.0 109.503 174.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 144.02 14.56 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.104 0.478 . . . . 0.0 111.288 162.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.327 -0.374 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 171.814 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t 76.88 165.77 0.25 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 128.98 2.912 . . . . 0.0 112.23 -163.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -49.52 142.3 8.21 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 126.007 1.723 . . . . 0.0 114.108 -158.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -99.64 120.47 39.73 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.474 1.51 . . . . 0.0 108.858 170.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.9 t -108.5 114.88 47.86 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 125.296 1.438 . . . . 0.0 108.052 164.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 97.4 m -114.49 93.21 4.24 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp -108.98 161.48 15.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.213 1.005 . . . . 0.0 110.929 -174.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tt -150.35 124.0 9.14 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.046 0.939 . . . . 0.0 109.872 -173.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -117.33 166.3 12.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.444 1.098 . . . . 0.0 110.855 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -113.57 120.25 40.29 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.507 1.123 . . . . 0.0 109.971 162.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.85 162.49 23.97 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.453 1.501 . . . . 0.0 112.803 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.12 -23.35 65.45 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.097 1.359 . . . . 0.0 113.92 170.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -76.14 -2.73 32.46 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.369 0.986 . . . . 0.0 113.153 167.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.49 8.05 71.35 Favored Glycine 0 C--N 1.341 0.858 0 C-N-CA 124.919 1.247 . . . . 0.0 114.626 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -106.28 148.28 28.17 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 118.146 0.973 . . . . 0.0 112.436 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -90.4 136.55 32.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.908 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -140.13 143.06 36.01 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 122.096 0.95 . . . . 0.0 112.036 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -81.24 148.8 29.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.041 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -133.23 74.85 1.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.72 2.408 . . . . 0.0 107.49 170.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -77.87 125.19 28.97 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.255 1.422 . . . . 0.0 110.268 169.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -146.53 101.07 3.43 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 127.281 2.232 . . . . 0.0 110.405 -178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -107.67 153.5 22.83 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.692 0.797 . . . . 0.0 111.194 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.1 48.32 8.45 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 123.724 0.678 . . . . 0.0 112.702 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 pp -132.5 -165.87 1.66 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.717 1.207 . . . . 0.0 110.661 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.3 p -141.26 -178.28 5.52 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.465 -0.772 . . . . 0.0 111.465 172.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.78 -32.44 73.73 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -163.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 37.1 p -64.39 -29.6 70.66 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 170.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.25 -31.53 33.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.207 1.003 . . . . 0.0 111.279 175.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.53 -45.06 95.22 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.323 -0.86 . . . . 0.0 110.969 165.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -61.85 -29.03 69.91 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.77 -57.95 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 118.715 0.689 . . . . 0.0 109.833 165.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 19.9 tp -53.83 -48.38 69.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.023 0.929 . . . . 0.0 112.647 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -60.58 -31.91 71.04 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.111 1.365 . . . . 0.0 113.19 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.83 -24.91 16.17 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 118.628 0.649 . . . . 0.0 114.262 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -91.53 -31.9 15.76 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.53 1.132 . . . . 0.0 112.208 -172.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.0 p -64.24 -42.63 96.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.81 -9.21 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 128.512 2.725 . . . . 0.0 117.32 171.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.14 166.03 23.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.384 1.087 . . . . 0.0 112.233 166.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.36 120.48 16.08 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.289 1.036 . . . . 0.0 111.894 -171.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.82 129.61 27.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 124.534 1.134 . . . . 0.0 111.085 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mm -115.11 -56.85 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 127.406 2.282 . . . . 0.0 107.451 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -136.23 155.95 49.37 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.444 0.698 . . . . 0.0 111.48 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.9 tp -150.58 110.31 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.855 1.262 . . . . 0.0 108.786 172.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.72 111.5 23.72 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 124.553 1.141 . . . . 0.0 109.006 173.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 tt -109.26 139.63 43.93 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 169.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -148.78 119.81 7.69 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 123.944 0.898 . . . . 0.0 109.21 -174.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 125.75 27.07 Favored 'General case' 0 C--N 1.345 0.404 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 162.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 31.2 m -86.72 156.83 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.499 -155.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--O 1.249 1.039 0 C-N-CA 127.12 2.168 . . . . 0.0 111.905 170.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 t -146.75 176.96 9.47 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.1 1.76 . . . . 0.0 109.323 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -47.42 147.57 1.63 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.617 1.567 . . . . 0.0 114.263 -161.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.72 117.49 30.4 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 127.474 2.31 . . . . 0.0 109.286 -176.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.93 96.08 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.729 1.211 . . . . 0.0 110.563 -174.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -91.06 110.6 21.87 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.302 1.441 . . . . 0.0 109.431 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 tpt -121.57 147.18 46.16 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.358 1.463 . . . . 0.0 110.556 -163.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 tp -144.16 118.94 9.86 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 124.839 1.256 . . . . 0.0 111.488 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.34 171.13 7.7 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.487 172.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -123.71 126.85 47.27 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.512 1.125 . . . . 0.0 110.708 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -76.46 168.35 20.22 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.967 1.307 . . . . 0.0 110.512 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.72 -36.39 74.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.743 2.017 . . . . 0.0 113.348 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -81.32 -2.44 49.12 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.435 -0.791 . . . . 0.0 112.986 175.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.23 3.42 56.66 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 125.372 1.463 . . . . 0.0 113.894 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -70.47 117.41 11.97 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 118.643 1.221 . . . . 0.0 111.101 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -85.88 125.6 33.44 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 123.089 0.556 . . . . 0.0 110.47 176.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -127.06 113.64 16.71 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.854 0.835 . . . . 0.0 112.38 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -74.05 147.33 42.96 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.341 172.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -146.9 149.44 33.25 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.446 1.498 . . . . 0.0 110.35 164.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -118.56 108.99 15.65 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 124.681 1.192 . . . . 0.0 108.223 -170.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -114.46 81.51 1.56 Allowed 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 123.598 0.759 . . . . 0.0 108.997 -170.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -109.63 168.77 9.16 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.323 0.649 . . . . 0.0 112.746 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.28 37.98 63.01 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 123.703 0.668 . . . . 0.0 112.386 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 pp -135.55 -170.56 2.63 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.711 1.205 . . . . 0.0 110.233 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -133.3 -179.82 5.74 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 120.644 -1.285 . . . . 0.0 112.711 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.55 -32.39 71.45 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -172.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.5 m -69.14 -27.25 65.39 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -84.46 -30.67 25.06 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.681 1.192 . . . . 0.0 111.576 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -61.32 -42.29 98.42 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.523 -0.736 . . . . 0.0 111.451 165.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -60.95 -24.3 65.96 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.89 -49.27 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 118.638 0.654 . . . . 0.0 110.736 168.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.9 tp -56.15 -50.92 69.77 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.015 0.825 . . . . 0.0 111.463 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -64.62 -33.84 76.88 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.51 -23.02 55.16 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 115.049 0.78 . . . . 0.0 115.049 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -114.81 -31.56 6.09 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.511 1.155 . . . . 0.0 113.048 -172.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.1 m -127.22 -5.62 6.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.503 0.721 . . . . 0.0 112.382 -154.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.45 25.48 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.97 2.108 . . . . 0.0 115.096 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -62.96 99.77 0.18 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.166 2.186 . . . . 0.0 111.186 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 51.67 59.93 4.22 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.813 1.645 . . . . 0.0 113.267 -170.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.86 132.68 28.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.618 175.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.9 mm -115.81 -48.94 4.64 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 C-N-CA 127.063 2.145 . . . . 0.0 109.71 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HZ2' ' CG ' ' B' ' 53' ' ' ASP . 57.4 mttm -138.38 146.3 42.08 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.644 0.656 . . . . 0.0 110.722 172.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tt -151.25 103.06 2.98 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.186 1.394 . . . . 0.0 107.827 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -98.04 126.35 43.42 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.302 1.041 . . . . 0.0 108.905 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -124.85 133.44 53.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 170.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.43 134.77 46.55 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 125.086 1.355 . . . . 0.0 108.367 176.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 136.36 54.95 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.633 153.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.043 -170.177 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.236 0.366 0 CA-C-O 122.392 1.091 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.6 m 141.79 -177.46 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.473 2.709 . . . . 0.0 108.738 -147.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -93.2 161.79 14.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.759 1.266 . . . . 0.0 110.829 156.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -108.62 142.1 39.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 127.186 2.194 . . . . 0.0 107.446 163.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -131.4 91.82 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 124.889 1.276 . . . . 0.0 108.167 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 6.8 m -80.33 141.33 35.54 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 164.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 43.8 ttm -149.51 155.1 39.81 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.795 0.725 . . . . 0.0 111.698 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -145.61 119.82 9.53 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.908 0.883 . . . . 0.0 110.439 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -117.69 175.98 5.39 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 125.848 1.659 . . . . 0.0 110.86 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -127.48 131.42 50.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.618 0.767 . . . . 0.0 110.565 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -75.96 162.35 28.16 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.563 1.145 . . . . 0.0 111.629 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -61.2 -22.6 64.91 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.04 -7.28 54.31 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.919 0.782 . . . . 0.0 112.645 171.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.39 5.02 65.69 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.706 1.145 . . . . 0.0 114.041 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -95.13 145.59 24.9 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 118.108 0.954 . . . . 0.0 111.005 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -99.73 140.49 33.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.492 -171.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -138.77 154.51 48.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 122.227 1.013 . . . . 0.0 111.244 -178.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -120.96 145.85 47.29 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.161 -163.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -137.72 155.9 48.59 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.244 1.418 . . . . 0.0 110.529 174.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -141.76 138.56 32.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.131 0.972 . . . . 0.0 109.654 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -143.82 83.44 1.75 Allowed 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 124.417 1.087 . . . . 0.0 109.64 -171.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.62 163.26 24.74 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.566 0.747 . . . . 0.0 110.725 172.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.0 29.99 52.64 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-O 119.615 -0.547 . . . . 0.0 113.744 163.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.57 -168.94 2.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.516 1.126 . . . . 0.0 111.046 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 17.7 p -131.54 178.77 6.48 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.284 -0.885 . . . . 0.0 113.341 -167.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt -58.0 -39.34 78.01 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.45 0.7 . . . . 0.0 112.744 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -68.22 -19.29 64.74 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.52 -32.55 15.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.681 1.192 . . . . 0.0 111.611 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -57.28 -44.55 84.11 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.26 0.624 . . . . 0.0 111.252 164.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.19 -25.62 67.16 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.112 0.965 . . . . 0.0 113.351 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.19 -57.21 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.812 169.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.09 -48.87 80.04 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.035 0.834 . . . . 0.0 111.974 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -63.85 -38.62 91.78 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.01 -19.03 75.79 Favored Glycine 0 C--N 1.34 0.762 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 -177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -121.3 -28.51 4.66 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 5.1 m -129.48 -8.54 4.65 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.809 0.443 . . . . 0.0 111.66 -155.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.74 62.0 0.17 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.254 1.422 . . . . 0.0 113.625 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.85 86.51 7.36 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.214 2.206 . . . . 0.0 110.912 -168.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 55.43 75.26 0.33 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.608 1.563 . . . . 0.0 110.826 -164.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.83 129.29 35.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.144 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 40.9 mm -113.49 -43.74 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 128.421 2.688 . . . . 0.0 109.316 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -140.97 154.31 45.99 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.956 0.902 . . . . 0.0 110.851 168.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 pp -145.85 159.02 43.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.97 0.89 . . . . 0.0 110.758 152.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -140.51 107.85 5.53 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.726 1.211 . . . . 0.0 109.033 173.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 24.2 tp -96.44 121.52 38.34 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 124.827 1.251 . . . . 0.0 108.068 169.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.401 ' CG ' ' HZ2' ' A' ' 49' ' ' LYS . 6.0 t70 -144.18 110.72 5.58 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -166.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -62.67 114.42 3.58 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-O 121.69 0.757 . . . . 0.0 111.628 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 t -72.52 153.81 7.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 124.788 1.235 . . . . 0.0 110.597 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 28.4 tp . . . . . 0 C--O 1.254 1.301 0 C-N-CA 127.978 2.511 . . . . 0.0 110.996 -178.505 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 . . . . . 0 CA--C 1.536 0.427 0 CA-C-O 121.959 0.885 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m 69.7 162.03 0.22 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 127.997 2.519 . . . . 0.0 113.5 -166.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -55.7 153.04 8.59 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.6 1.56 . . . . 0.0 113.781 -160.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -105.67 136.19 45.72 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 125.585 1.554 . . . . 0.0 109.332 170.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -127.42 140.95 47.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 126.196 1.799 . . . . 0.0 107.698 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.9 m -137.94 124.11 20.4 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.2 ttm -140.87 145.57 36.35 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.724 0.693 . . . . 0.0 112.811 -166.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.7 tp -123.03 122.34 38.27 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 127.025 2.13 . . . . 0.0 109.812 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -129.84 169.62 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.128 1.771 . . . . 0.0 109.402 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -135.44 111.89 9.88 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.633 0.73 . . . . 0.0 111.421 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.15 164.02 1.4 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.042 1.737 . . . . 0.0 112.249 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -59.74 -30.07 68.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.45 1.1 . . . . 0.0 112.674 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -74.5 -2.74 27.02 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.14 0.976 . . . . 0.0 112.899 172.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.69 6.57 85.37 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.791 1.186 . . . . 0.0 113.916 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -83.24 119.09 24.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.654 1.182 . . . . 0.0 110.409 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -74.48 138.55 43.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.767 0.318 . . . . 0.0 111.403 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -141.25 139.47 33.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 122.121 0.962 . . . . 0.0 111.62 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -122.04 129.74 52.68 Favored 'General case' 0 C--O 1.245 0.838 0 C-N-CA 126.238 1.815 . . . . 0.0 109.605 -170.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -144.6 149.84 36.45 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 124.732 1.27 . . . . 0.0 112.788 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -94.35 141.8 28.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.739 1.615 . . . . 0.0 109.628 167.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -145.72 92.6 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.641 1.576 . . . . 0.0 108.745 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.37 172.16 8.24 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.378 0.671 . . . . 0.0 112.107 -175.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.53 35.53 51.51 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 115.149 -0.932 . . . . 0.0 113.071 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -140.4 -166.96 2.23 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 125.157 1.383 . . . . 0.0 110.81 -171.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.1 p -134.78 179.92 6.0 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 120.954 -1.091 . . . . 0.0 113.632 -172.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.09 -26.34 67.43 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -175.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.4 m -76.16 -28.59 57.42 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 124.13 0.972 . . . . 0.0 112.8 172.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -78.41 -29.33 47.14 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.695 0.798 . . . . 0.0 111.449 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.72 -45.14 93.07 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 118.824 -0.608 . . . . 0.0 111.342 164.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.44 -28.26 69.15 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 119.16 0.891 . . . . 0.0 113.067 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.5 t -67.5 -54.52 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 118.404 0.547 . . . . 0.0 110.319 169.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.1 tp -59.86 -42.71 94.27 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.88 0.764 . . . . 0.0 112.405 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -66.88 -47.75 70.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.357 1.463 . . . . 0.0 112.647 175.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.78 -33.53 9.04 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -168.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -81.4 -33.94 31.92 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.352 1.076 . . . . 0.0 112.656 -175.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 m -78.48 -26.74 46.14 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -160.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.02 2.68 0.11 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.312 2.645 . . . . 0.0 118.007 170.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -86.02 59.06 5.41 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.948 1.299 . . . . 0.0 111.696 -176.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 71.89 -28.98 0.19 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 129.866 3.266 . . . . 0.0 117.7 161.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm 58.45 110.76 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.257 1.823 . . . . 0.0 112.661 -172.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.8 mm -114.19 -54.24 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 113.86 -1.518 . . . . 0.0 108.385 -173.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -143.5 155.95 44.48 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.895 0.878 . . . . 0.0 110.043 168.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 pp -151.67 162.88 40.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.926 0.87 . . . . 0.0 111.578 162.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 ttp-105 -137.56 151.67 48.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 127.197 2.199 . . . . 0.0 109.33 171.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 tt -145.99 144.64 30.23 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.668 1.587 . . . . 0.0 108.983 172.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.71 134.28 30.09 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 125.736 1.614 . . . . 0.0 109.026 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 140.21 58.26 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.197 151.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.385 -174.652 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 CA--C 1.535 0.383 0 CA-C-O 121.421 0.629 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -128.08 161.44 29.2 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.625 1.57 . . . . 0.0 109.66 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -51.73 145.34 9.55 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.529 1.131 . . . . 0.0 113.454 -155.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -94.31 135.98 35.11 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.415 1.886 . . . . 0.0 108.279 166.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.76 92.54 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 126.068 1.747 . . . . 0.0 108.114 172.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 61.8 m -91.11 117.17 29.39 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 124.927 1.291 . . . . 0.0 108.351 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 57.8 ttm -134.67 149.09 50.48 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 121.644 -0.66 . . . . 0.0 111.883 -171.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -128.28 110.95 12.87 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.631 1.572 . . . . 0.0 110.129 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.92 170.8 7.73 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 125.568 1.547 . . . . 0.0 110.599 173.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -128.0 119.65 25.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.828 0.851 . . . . 0.0 110.279 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.02 146.77 54.3 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 168.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.66 -8.83 45.87 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -175.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.9 -0.37 27.22 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.939 0.895 . . . . 0.0 112.944 165.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.07 8.27 59.08 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 125.874 1.702 . . . . 0.0 113.959 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -93.91 106.72 18.68 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.105 0.962 . . . . 0.0 110.074 -170.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -76.1 128.4 34.91 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.12 0.568 . . . . 0.0 110.94 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -130.92 122.53 27.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.969 0.89 . . . . 0.0 111.296 -177.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -76.67 147.76 37.26 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.987 170.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -140.92 150.63 43.4 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.62 1.168 . . . . 0.0 109.959 165.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -126.83 89.51 3.0 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.891 1.677 . . . . 0.0 108.638 -172.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -101.72 84.36 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -171.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.91 152.57 20.76 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 123.9 0.88 . . . . 0.0 112.541 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.03 23.59 34.65 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 124.056 0.836 . . . . 0.0 113.746 -174.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 mt -101.68 -174.56 2.62 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.423 1.489 . . . . 0.0 112.046 -173.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.0 p -133.63 176.16 8.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.365 -0.834 . . . . 0.0 110.042 166.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.08 -32.52 72.17 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 74.7 m -70.23 -27.31 64.36 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 174.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -81.14 -32.45 33.71 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.632 1.173 . . . . 0.0 111.226 175.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -58.57 -45.75 88.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.583 166.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.87 -25.21 64.87 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 63.4 t -71.0 -45.96 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 123.505 0.722 . . . . 0.0 111.648 171.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.19 -37.95 88.95 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.449 0.568 . . . . 0.0 111.544 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . 0.435 ' HA ' ' HG1' ' B' ' 43' ' ' THR . 10.3 t80 -67.59 -15.88 63.89 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.86 -35.7 92.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 121.144 -0.973 . . . . 0.0 112.678 165.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -80.13 -15.46 57.05 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.435 ' HG1' ' HA ' ' B' ' 40' ' ' TYR . 7.7 m -57.05 -20.34 24.18 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.383 1.473 . . . . 0.0 114.781 -178.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.07 -9.24 0.82 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 172.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.48 40.73 1.23 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 72.14 70.36 0.15 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.908 2.083 . . . . 0.0 112.711 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 tt -67.49 151.88 10.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.951 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.3 mm -122.11 -53.69 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 126.008 1.723 . . . . 0.0 109.743 -172.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -139.61 159.46 42.11 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 123.455 0.702 . . . . 0.0 111.976 172.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tp -152.56 140.89 20.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.616 1.567 . . . . 0.0 108.961 169.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 41.9 ttp85 -135.51 127.36 29.36 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.851 2.061 . . . . 0.0 108.619 168.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 tt -128.36 146.37 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 122.959 0.503 . . . . 0.0 110.036 173.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' B' ' 55' ' ' VAL . 5.4 t0 -147.32 131.49 17.37 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.495 1.118 . . . . 0.0 108.369 -173.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -70.13 16.5 0.07 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 170.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' B' ' 53' ' ' ASP . 19.0 m 34.51 90.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 131.016 3.726 . . . . 0.0 114.266 -173.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.8 tp . . . . . 0 C--O 1.257 1.47 0 CA-C-N 111.287 -2.688 . . . . 0.0 110.276 -172.805 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.7 t0 . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 121.629 0.728 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.432 ' H ' ' HA2' ' A' ' 30' ' ' GLY . 70.6 m -117.79 -167.68 1.38 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 129.1 2.96 . . . . 0.0 109.774 -174.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -44.16 115.07 0.77 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.438 1.495 . . . . 0.0 112.104 -169.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -70.94 146.65 49.37 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 161.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -137.89 96.46 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 128.294 2.637 . . . . 0.0 107.89 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -96.47 105.84 17.99 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 127.298 2.239 . . . . 0.0 107.905 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.02 154.81 32.5 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 120.595 1.543 . . . . 0.0 111.44 -178.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tt -147.85 111.29 4.95 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.02 0.928 . . . . 0.0 109.615 -175.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.67 170.84 7.96 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.505 1.122 . . . . 0.0 109.943 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -125.13 122.66 37.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.074 1.35 . . . . 0.0 110.681 172.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.4 162.38 29.52 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.793 1.237 . . . . 0.0 111.963 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -62.95 -21.7 66.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.658 1.583 . . . . 0.0 114.097 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -79.16 0.0 30.05 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 118.933 0.788 . . . . 0.0 112.701 169.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.45 4.13 74.07 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.454 1.502 . . . . 0.0 113.442 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -80.28 112.19 17.38 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.774 1.23 . . . . 0.0 110.869 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -74.07 132.07 41.96 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 170.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -137.51 156.85 47.66 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 122.157 0.979 . . . . 0.0 111.642 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -121.82 133.57 54.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.288 1.435 . . . . 0.0 110.251 -161.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -134.79 75.52 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.617 1.967 . . . . 0.0 108.381 -168.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -95.53 109.82 21.98 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.028 0.918 . . . . 0.0 111.062 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -115.28 143.99 44.41 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.095 2.158 . . . . 0.0 108.336 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -130.66 152.77 49.66 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.76 0.424 . . . . 0.0 111.484 -170.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.432 ' HA2' ' H ' ' A' ' 9' ' ' SER . . . 71.38 32.44 65.04 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 118.678 -1.068 . . . . 0.0 114.162 171.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.4 mt -111.7 -151.94 0.49 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.928 1.364 . . . . 0.0 110.24 -169.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.1 p -147.17 175.04 11.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.841 -1.162 . . . . 0.0 112.345 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.76 -34.09 73.93 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 m -65.02 -33.97 77.32 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.759 0.708 . . . . 0.0 111.747 172.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -75.43 -36.19 60.81 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.283 -0.886 . . . . 0.0 111.357 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -59.21 -50.61 73.37 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.382 1.073 . . . . 0.0 111.515 167.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -54.82 -41.28 70.47 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.268 1.427 . . . . 0.0 111.798 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.74 -55.41 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 118.797 -0.62 . . . . 0.0 111.25 170.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.7 tp -61.75 -44.03 97.69 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.782 1.174 . . . . 0.0 113.115 -173.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.82 -32.11 72.39 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.425 1.09 . . . . 0.0 112.079 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.51 -33.44 11.53 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-N 118.824 0.738 . . . . 0.0 114.457 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -89.26 -29.71 19.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.708 1.203 . . . . 0.0 112.255 -170.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -62.17 -43.82 97.97 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 118.923 -0.56 . . . . 0.0 111.814 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.39 -14.56 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.21 2.604 . . . . 0.0 117.627 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.17 158.81 27.76 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 122.36 1.076 . . . . 0.0 111.253 169.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.35 108.45 1.95 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.207 -173.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.99 125.73 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 124.867 1.267 . . . . 0.0 110.843 176.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.3 mm -107.28 -42.91 6.44 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.082 0 C-N-CA 127.445 2.298 . . . . 0.0 108.108 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -143.89 150.63 38.7 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.305 1.042 . . . . 0.0 110.212 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -146.61 162.4 38.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.793 0.806 . . . . 0.0 110.018 149.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 ttp85 -142.53 124.44 15.2 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 127.625 2.37 . . . . 0.0 108.521 173.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 tt -118.31 144.94 45.46 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.787 1.635 . . . . 0.0 107.921 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -150.35 112.78 4.68 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -172.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -67.03 87.5 0.15 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 122.04 0.924 . . . . 0.0 110.781 170.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 C--O 1.235 0.325 0 C-N-CA 124.442 1.097 . . . . 0.0 110.558 175.84 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -168.66 -176.56 2.8 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.832 1.653 . . . . 0.0 108.734 -170.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -35.52 130.22 0.53 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.619 2.367 . . . . 0.0 112.902 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -105.12 103.26 12.77 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 127.232 2.213 . . . . 0.0 109.871 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 t -86.26 133.37 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 168.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 37.0 m -129.59 93.33 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 165.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 37.1 ttp -106.25 160.28 15.47 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.536 0.734 . . . . 0.0 111.071 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.3 120.04 8.08 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.611 0.764 . . . . 0.0 110.812 -168.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.42 174.83 5.92 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.406 1.883 . . . . 0.0 110.471 -174.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -132.15 124.68 29.56 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 124.269 1.028 . . . . 0.0 110.113 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.96 165.21 23.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.888 1.275 . . . . 0.0 112.393 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -54.47 -34.78 62.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.776 1.631 . . . . 0.0 112.87 171.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.26 0.22 14.88 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.301 -0.875 . . . . 0.0 113.2 173.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.28 6.05 89.42 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.312 1.434 . . . . 0.0 113.666 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -78.28 122.5 25.8 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.686 -0.89 . . . . 0.0 110.283 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -79.49 130.29 35.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.637 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -132.53 140.86 48.49 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.93 0.871 . . . . 0.0 111.712 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -88.05 152.12 22.26 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.038 1.335 . . . . 0.0 111.727 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -134.36 79.2 1.79 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.395 2.278 . . . . 0.0 108.133 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -73.96 116.72 14.91 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.589 1.556 . . . . 0.0 109.899 169.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -143.77 101.11 3.7 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.113 0.965 . . . . 0.0 110.626 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.67 168.18 9.99 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.504 0.722 . . . . 0.0 112.888 177.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.95 39.37 38.44 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.408 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 pp -135.32 -165.58 1.7 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.986 1.314 . . . . 0.0 109.442 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.0 p -137.81 -176.76 4.53 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.239 -0.913 . . . . 0.0 113.372 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.8 mt -57.74 -41.94 82.91 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -168.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -63.7 -31.7 72.95 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -79.12 -34.75 43.09 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.877 1.271 . . . . 0.0 111.811 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.32 -46.04 91.29 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.596 -0.69 . . . . 0.0 110.74 166.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.24 -30.53 69.48 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.772 0.829 . . . . 0.0 113.089 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 70.7 t -63.54 -52.2 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 118.677 0.672 . . . . 0.0 110.396 170.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 24.4 tp -57.76 -51.19 70.57 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.407 1.083 . . . . 0.0 111.628 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -60.2 -39.26 85.94 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.095 2.158 . . . . 0.0 112.451 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.29 -22.99 64.0 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-O 118.945 -0.92 . . . . 0.0 114.612 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -99.28 -37.86 9.1 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.981 1.39 . . . . 0.0 113.984 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m -78.06 -45.68 22.9 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.295 0.498 . . . . 0.0 111.672 -161.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.56 -1.82 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 128.93 2.892 . . . . 0.0 118.563 161.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' B' ' 47' ' ' ILE . 10.1 m-20 -70.46 81.55 0.57 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.339 1.456 . . . . 0.0 113.045 -175.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 60.25 -16.22 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.771 2.828 . . . . 0.0 117.127 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.431 ' H ' ' C ' ' B' ' 45' ' ' ASP 0.292 3.2 tp 38.68 99.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 131.372 3.869 . . . . 0.0 113.081 172.337 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.7 mm -108.26 -47.03 7.6 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 C-N-CA 129.154 2.982 . . . . 0.0 109.073 -160.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -142.4 161.13 38.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.6 0.714 . . . . 0.0 110.975 169.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 tp -154.18 123.38 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.81 1.244 . . . . 0.0 107.939 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -115.22 143.53 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 165.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 53.7 tp -134.79 143.87 47.33 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 167.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -148.6 111.54 4.85 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.824 1.25 . . . . 0.0 108.025 -171.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -69.44 96.8 0.92 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.411 -0.806 . . . . 0.0 110.885 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.19 151.67 9.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.393 165.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.841 2.057 . . . . 0.0 108.675 -171.62 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 121.054 0.454 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m -140.95 -177.4 5.07 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 127.033 2.133 . . . . 0.0 109.13 -172.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -41.53 130.08 3.13 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.221 1.408 . . . . 0.0 113.816 -167.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -109.8 96.21 6.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 127.765 2.426 . . . . 0.0 109.007 -168.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.9 t -95.51 143.0 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.568 1.547 . . . . 0.0 110.307 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.6 m -144.28 118.47 9.51 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 124.143 0.977 . . . . 0.0 108.469 172.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.8 mtt -125.1 161.88 25.82 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.375 0.988 . . . . 0.0 113.035 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tt -141.87 115.61 9.14 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.507 1.523 . . . . 0.0 109.077 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.89 166.75 16.31 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.518 1.127 . . . . 0.0 109.78 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -125.55 118.04 24.89 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.257 1.023 . . . . 0.0 110.182 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.57 159.44 21.77 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.594 1.158 . . . . 0.0 111.924 175.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.93 -18.82 63.58 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.82 -3.14 36.87 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.654 0.782 . . . . 0.0 112.99 168.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.72 6.71 69.75 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 125.766 1.65 . . . . 0.0 113.581 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -85.8 112.43 21.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.481 1.112 . . . . 0.0 110.579 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -74.83 132.92 41.91 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.261 0.625 . . . . 0.0 110.943 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -136.26 154.13 50.99 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.107 0.963 . . . . 0.0 111.63 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -121.93 136.01 54.9 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.438 1.495 . . . . 0.0 110.897 -165.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -136.49 85.35 2.14 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.17 1.388 . . . . 0.0 110.404 -164.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -87.1 125.23 34.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.337 0.655 . . . . 0.0 110.324 172.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -144.61 98.66 3.23 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.36 1.064 . . . . 0.0 111.059 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.89 173.39 6.34 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.648 0.779 . . . . 0.0 112.672 177.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.17 31.07 66.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.59 -0.561 . . . . 0.0 113.342 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 pp -130.42 -163.06 1.27 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.551 1.14 . . . . 0.0 111.013 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.9 p -142.91 -177.39 5.31 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.144 -0.973 . . . . 0.0 112.83 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.64 -32.34 73.79 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -165.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 p -63.77 -31.94 73.27 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.675 1.19 . . . . 0.0 112.707 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.99 -31.23 34.81 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.221 1.008 . . . . 0.0 112.113 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -60.43 -45.68 92.77 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.443 -0.786 . . . . 0.0 110.9 165.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.38 -42.36 70.26 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.229 1.812 . . . . 0.0 112.488 174.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.67 -50.4 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.258 173.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -55.58 31.93 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.657 1.117 . . . . 0.0 110.908 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -59.71 -41.04 89.92 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.154 0.982 . . . . 0.0 112.23 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.9 -30.39 26.3 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-O 119.191 -0.783 . . . . 0.0 114.912 -174.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -82.12 -37.5 26.18 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.986 1.393 . . . . 0.0 111.394 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 p -65.7 -51.4 59.63 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.019 0.527 . . . . 0.0 111.49 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.98 17.57 0.68 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.288 2.235 . . . . 0.0 114.387 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -82.21 170.88 14.92 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.592 1.557 . . . . 0.0 111.975 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.51 100.71 0.52 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.008 0.923 . . . . 0.0 110.188 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 129.07 36.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.059 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -109.83 -45.84 6.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 127.644 2.377 . . . . 0.0 108.19 -176.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -140.46 148.34 41.0 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.537 1.535 . . . . 0.0 110.157 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -143.54 158.46 43.64 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.632 1.206 . . . . 0.0 111.738 149.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -139.82 147.19 40.38 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 127.362 2.265 . . . . 0.0 109.052 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.5 tt -144.67 135.49 24.81 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.832 1.653 . . . . 0.0 108.658 164.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -129.3 141.25 51.15 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.532 1.133 . . . . 0.0 108.726 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -64.06 153.29 37.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.916 0.865 . . . . 0.0 110.762 163.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.0 t . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 114.166 -1.379 . . . . 0.0 107.53 169.381 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 49.6 m 75.3 145.66 0.08 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 127.82 2.448 . . . . 0.0 112.221 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -52.17 149.82 5.02 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.934 2.094 . . . . 0.0 114.382 -154.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -117.07 93.81 4.33 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 126.778 2.031 . . . . 0.0 109.609 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 38.7 t -82.03 130.67 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 166.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 31.3 m -132.54 87.7 2.45 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.878 1.671 . . . . 0.0 107.028 172.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 6.0 mtp -94.43 168.44 10.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.913 0.885 . . . . 0.0 110.651 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.4 149.42 31.72 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.136 0.97 . . . . 0.0 111.218 157.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -134.72 172.29 13.16 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.275 1.83 . . . . 0.0 109.507 -172.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -119.93 141.43 49.64 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.328 0.651 . . . . 0.0 110.492 -175.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.69 171.68 8.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.398 1.079 . . . . 0.0 110.087 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.0 -35.33 76.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.652 1.181 . . . . 0.0 112.811 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -83.35 -2.34 55.52 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.451 1.1 . . . . 0.0 112.958 173.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.31 83.21 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-O 118.122 -1.377 . . . . 0.0 114.762 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -61.22 -24.45 66.36 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.999 1.9 . . . . 0.0 115.565 -166.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 59.09 136.56 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 128.381 2.672 . . . . 0.0 114.152 -167.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -139.93 141.63 36.46 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.644 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -81.01 151.87 28.21 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 122.2 1.0 . . . . 0.0 111.79 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -131.84 74.44 1.59 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 127.363 2.265 . . . . 0.0 107.512 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -78.86 117.86 20.36 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.201 1.8 . . . . 0.0 109.928 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -141.85 93.5 2.56 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 126.225 1.81 . . . . 0.0 109.632 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -120.49 147.21 45.43 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.649 1.18 . . . . 0.0 110.896 -172.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.65 36.62 6.06 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.146 0.879 . . . . 0.0 112.502 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.05 -161.85 1.22 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.803 1.241 . . . . 0.0 110.724 -175.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.0 p -138.23 -178.28 5.21 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.17 -37.68 88.12 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.2 p -66.54 -25.68 66.78 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.913 -0.492 . . . . 0.0 112.145 173.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -81.17 -34.41 32.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.662 1.185 . . . . 0.0 111.595 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -58.59 -45.32 89.35 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.483 -0.76 . . . . 0.0 111.037 166.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.29 -26.94 65.4 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.33 -51.99 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.85 0.75 . . . . 0.0 110.648 170.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.55 -46.59 88.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.284 0.634 . . . . 0.0 111.105 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -59.28 -55.49 34.14 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.322 1.049 . . . . 0.0 111.709 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.53 -19.68 76.52 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 118.953 -0.915 . . . . 0.0 114.879 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -96.26 -39.84 9.46 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.662 1.231 . . . . 0.0 112.597 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.1 m -124.21 -23.62 4.5 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -155.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.82 23.32 0.08 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -169.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.24 118.2 4.18 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.385 1.074 . . . . 0.0 110.163 174.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 49.68 58.56 5.3 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.071 1.748 . . . . 0.0 114.309 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 tt -63.48 151.33 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 1.2 mp -110.06 -55.81 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 127.753 2.421 . . . . 0.0 107.473 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -139.21 146.08 40.07 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.566 0.698 . . . . 0.0 112.573 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 tp -139.35 128.06 23.28 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 127.55 2.34 . . . . 0.0 108.408 170.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.21 136.62 52.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.67 1.988 . . . . 0.0 107.093 168.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.1 tp -142.66 127.17 17.87 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 171.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.43 146.08 49.12 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 123.738 0.815 . . . . 0.0 109.242 173.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -62.08 152.26 33.24 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.635 155.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -132.33 134.03 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 121.724 0.773 . . . . 0.0 109.231 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--O 1.248 0.98 0 C-N-CA 128.568 2.747 . . . . 0.0 109.561 -166.647 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 t -144.15 171.58 14.1 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.783 1.633 . . . . 0.0 108.818 169.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -45.52 139.37 3.84 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.698 1.599 . . . . 0.0 113.561 -156.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -98.68 134.93 40.9 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.07 1.348 . . . . 0.0 109.19 166.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 t -127.49 92.69 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 126.0 1.72 . . . . 0.0 109.373 175.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.5 m -78.73 100.05 6.91 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.5 ttm -124.42 141.11 52.33 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.314 0.646 . . . . 0.0 110.628 -174.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.448 HD13 ' HB3' ' A' ' 25' ' ' TYR . 19.8 tp -137.64 128.53 27.21 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 127.174 2.19 . . . . 0.0 109.432 -176.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -130.75 175.28 9.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.189 1.396 . . . . 0.0 110.318 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -136.71 119.88 16.66 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.381 0.673 . . . . 0.0 111.159 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -66.02 162.23 19.86 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.014 0.925 . . . . 0.0 112.05 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.19 -21.56 66.61 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -76.5 -8.56 57.42 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 170.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.74 6.49 60.7 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 125.463 1.506 . . . . 0.0 114.004 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -80.89 116.53 20.91 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.888 0.875 . . . . 0.0 110.653 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -78.9 136.79 37.39 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.119 172.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -142.03 144.29 33.56 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.354 0.597 . . . . 0.0 111.079 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.448 ' HB3' HD13 ' A' ' 15' ' ' LEU . 2.1 p90 -146.2 165.69 28.44 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.305 -174.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.77 161.73 37.02 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.739 158.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -80.43 87.17 5.67 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 125.105 1.362 . . . . 0.0 108.683 161.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.18 91.78 6.77 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -125.42 167.43 14.97 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -164.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.81 34.93 66.01 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.665 -174.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -135.83 -162.97 1.33 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.399 1.08 . . . . 0.0 110.474 -173.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.9 p -138.83 -179.4 5.81 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 120.941 -1.099 . . . . 0.0 113.493 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.7 -34.7 76.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -70.19 -26.91 64.11 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.187 -0.945 . . . . 0.0 113.131 173.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -80.59 -31.38 36.74 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 123.521 0.728 . . . . 0.0 112.347 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -59.23 -47.05 86.77 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.226 0.611 . . . . 0.0 110.972 166.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.89 -30.74 70.35 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.4 t -68.92 -50.45 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.34 168.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.6 tp -54.27 -50.9 66.2 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.36 0.982 . . . . 0.0 112.137 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -61.34 -37.63 83.98 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.33 1.052 . . . . 0.0 112.657 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.6 -26.19 43.61 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -85.92 -41.23 15.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.148 0.979 . . . . 0.0 111.169 -177.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.6 p -69.99 -48.0 59.96 Favored 'General case' 0 C--O 1.221 -0.403 0 O-C-N 123.504 0.502 . . . . 0.0 112.309 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.94 0.7 0.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 118.25 2.685 . . . . 0.0 118.25 172.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -80.88 45.6 0.83 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.513 1.525 . . . . 0.0 112.748 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 65.33 -5.77 0.42 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.35 2.66 . . . . 0.0 117.373 157.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm 62.91 142.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 127.559 2.344 . . . . 0.0 113.373 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.6 mm -119.59 -49.53 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 113.845 -1.525 . . . . 0.0 108.354 168.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -136.02 152.54 51.02 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-O 121.694 0.759 . . . . 0.0 111.628 170.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.8 tp -148.53 131.24 15.97 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.44 1.896 . . . . 0.0 108.126 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttt-85 -135.58 143.03 45.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.651 1.18 . . . . 0.0 107.904 166.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -141.32 147.31 37.93 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.715 0.806 . . . . 0.0 109.476 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 55' ' ' VAL . 6.9 t70 -153.09 129.32 10.48 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.322 -172.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.255 6.5 ptpt -70.96 18.27 0.06 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 173.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 53' ' ' ASP . 19.2 m . . . . . 0 C--N 1.326 -0.438 0 C-N-CA 130.817 3.647 . . . . 0.0 115.69 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--O 1.235 0.306 0 CA-C-O 123.446 1.594 . . . . 0.0 113.144 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.7 m 141.07 -172.68 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 128.23 2.612 . . . . 0.0 107.826 -144.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -89.52 172.81 8.71 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 122.718 1.247 . . . . 0.0 109.635 149.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.44 146.22 49.6 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 129.265 3.026 . . . . 0.0 106.845 172.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -133.35 142.23 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 127.109 2.163 . . . . 0.0 109.733 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -138.93 140.36 38.3 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.254 1.422 . . . . 0.0 108.249 167.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.7 tpp -145.8 148.92 33.45 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.647 0.779 . . . . 0.0 109.241 -169.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -141.96 121.95 13.69 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.177 0.991 . . . . 0.0 109.442 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -118.75 171.51 8.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.431 1.892 . . . . 0.0 110.622 -173.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -136.82 118.98 15.49 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 124.005 0.922 . . . . 0.0 110.59 172.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.51 160.4 22.35 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.709 0.804 . . . . 0.0 111.601 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.24 -25.83 65.96 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -76.74 -0.36 23.44 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.527 0.731 . . . . 0.0 112.866 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.45 6.37 70.88 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.81 1.672 . . . . 0.0 114.349 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -87.79 115.19 25.07 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.849 1.26 . . . . 0.0 110.47 -175.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -75.83 140.37 42.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.662 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -143.16 148.71 36.98 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 122.36 1.076 . . . . 0.0 111.797 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -112.33 142.84 44.35 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.727 2.011 . . . . 0.0 110.466 -171.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -153.85 109.55 3.23 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.228 -167.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -121.69 150.16 42.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.634 0.73 . . . . 0.0 110.995 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -152.31 104.48 2.94 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.698 1.199 . . . . 0.0 109.599 -170.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -90.22 168.37 11.99 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.008 0.923 . . . . 0.0 109.617 171.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.32 38.48 91.49 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 119.588 -0.562 . . . . 0.0 114.314 169.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.05 -162.65 1.28 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.176 0.99 . . . . 0.0 111.596 -177.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 28.7 p -133.34 176.55 8.43 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.21 -0.931 . . . . 0.0 113.102 -176.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.35 -37.23 82.6 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 49.2 m -65.01 -30.5 71.49 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -77.61 -31.4 52.86 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.04 0.936 . . . . 0.0 112.062 175.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -61.2 -45.28 95.24 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.742 -0.599 . . . . 0.0 111.893 167.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -60.93 -31.21 70.75 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.15 -51.22 62.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.009 169.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.22 -53.29 59.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.356 0.98 . . . . 0.0 111.013 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -57.63 -49.07 77.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.708 1.203 . . . . 0.0 112.131 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.51 -28.52 35.66 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-O 119.19 -0.783 . . . . 0.0 115.012 -171.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -89.71 -39.78 12.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.767 1.283 . . . . 0.0 111.626 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 38.2 m -81.3 -50.66 9.25 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 119.424 -0.322 . . . . 0.0 110.677 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.89 -1.12 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 119.888 3.292 . . . . 0.0 119.888 164.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -64.94 92.17 0.1 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.708 1.203 . . . . 0.0 113.395 -171.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 66.99 -35.08 0.24 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 129.474 3.11 . . . . 0.0 115.814 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.4 mm 56.8 107.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 127.399 2.279 . . . . 0.0 112.11 -170.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 45.5 mm -108.14 -51.76 7.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.817 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -140.75 156.38 46.2 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.394 1.077 . . . . 0.0 109.487 170.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 pp -152.7 164.94 36.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.886 0.85 . . . . 0.0 111.278 154.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -142.07 145.83 34.77 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.259 2.224 . . . . 0.0 109.519 173.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 tt -142.56 144.82 33.07 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.982 1.313 . . . . 0.0 109.501 164.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.86 134.84 35.58 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.48 1.512 . . . . 0.0 107.616 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -68.04 139.82 56.29 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.572 0.701 . . . . 0.0 109.265 154.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -124.73 145.71 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 125.551 1.54 . . . . 0.0 109.347 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.247 0.926 0 C-N-CA 128.316 2.647 . . . . 0.0 113.075 -169.179 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t70 . . . . . 0 CA--C 1.532 0.264 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t -155.92 -177.36 6.52 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.642 1.577 . . . . 0.0 110.604 -169.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -42.93 131.55 4.14 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.479 1.511 . . . . 0.0 113.178 -167.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -77.47 148.23 35.49 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.008 156.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -135.06 92.71 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 125.921 1.688 . . . . 0.0 108.443 159.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 m -68.36 124.22 22.92 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 165.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 1.8 tpp -139.24 148.5 43.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.775 0.798 . . . . 0.0 111.495 -177.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.478 ' N ' ' HG3' ' A' ' 14' ' ' MET . 0.1 OUTLIER -149.07 128.33 12.9 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.123 -176.362 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.35 168.31 10.75 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 113.574 -1.648 . . . . 0.0 109.308 175.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -86.45 156.6 20.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.543 153.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.15 177.76 8.36 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 122.022 0.915 . . . . 0.0 112.333 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.0 -19.39 64.3 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 -161.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.8 -5.06 27.33 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 171.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.06 13.89 65.5 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 124.587 1.089 . . . . 0.0 113.075 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -128.72 156.59 43.27 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 125.169 1.388 . . . . 0.0 110.241 -171.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -81.12 150.54 28.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.391 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -141.41 141.16 33.76 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.969 0.89 . . . . 0.0 111.115 176.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -132.15 133.18 43.96 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.003 -1.453 . . . . 0.0 110.308 -159.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.0 159.44 44.21 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 122.525 1.155 . . . . 0.0 112.41 165.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -83.87 139.91 32.33 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 112.857 -1.974 . . . . 0.0 111.716 161.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -126.7 81.09 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.011 0.924 . . . . 0.0 108.509 172.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.39 167.77 9.6 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -170.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.15 37.09 91.19 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.806 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.97 -167.37 1.94 Allowed 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.463 1.105 . . . . 0.0 109.613 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 p -139.08 179.6 6.41 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 120.886 -1.134 . . . . 0.0 112.939 -173.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.66 -26.63 68.47 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.8 p -77.94 -24.8 48.12 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 171.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -79.16 -32.51 44.31 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.964 1.306 . . . . 0.0 111.305 171.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -59.19 -43.27 92.21 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.861 0.864 . . . . 0.0 111.759 167.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -60.91 -28.79 69.17 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.3 t -69.37 -49.09 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 119.135 -0.459 . . . . 0.0 110.573 170.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.3 tp -59.37 -48.0 83.31 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.696 0.68 . . . . 0.0 111.466 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -67.63 -23.01 65.3 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.03 -25.3 27.23 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-O 119.513 -0.604 . . . . 0.0 114.468 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -118.71 -21.93 7.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.928 0.864 . . . . 0.0 113.109 -167.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.2 m -129.2 -6.64 4.85 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -164.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.1 18.89 0.06 Allowed 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.42 113.27 5.84 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.291 1.036 . . . . 0.0 113.118 -176.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 59.02 53.73 5.4 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 126.651 1.98 . . . . 0.0 112.673 -172.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.5 tt -64.46 151.63 9.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.0 mm -135.34 -57.3 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.745 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.408 ' HB2' HD22 ' A' ' 15' ' ' LEU . 37.3 mttm -138.56 157.54 45.96 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-O 122.061 0.934 . . . . 0.0 111.853 176.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.1 tt -154.93 123.72 6.15 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.239 1.816 . . . . 0.0 107.872 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -130.52 90.84 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.263 1.425 . . . . 0.0 108.662 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.2 tt -81.33 138.23 35.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.388 165.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -149.9 129.41 13.05 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -55.76 153.34 8.38 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-O 122.963 1.363 . . . . 0.0 111.967 170.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.447 -0.613 0 CA-C-N 113.511 -1.677 . . . . 0.0 111.662 -179.193 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -98.94 -176.25 3.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.886 2.074 . . . . 0.0 109.535 162.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -43.68 134.64 4.17 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.971 1.308 . . . . 0.0 112.166 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -95.44 130.6 42.2 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 124.743 1.217 . . . . 0.0 109.962 169.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -115.6 124.91 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 124.804 1.241 . . . . 0.0 108.194 167.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 86.8 m -122.98 95.26 4.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 125.546 1.538 . . . . 0.0 107.067 172.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.3 ttp -113.46 147.37 37.98 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.119 0.967 . . . . 0.0 109.156 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -131.79 134.26 45.63 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.152 1.381 . . . . 0.0 109.525 -175.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -124.38 169.07 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.209 1.403 . . . . 0.0 109.952 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -108.05 136.52 47.59 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 122.815 1.293 . . . . 0.0 111.411 173.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.92 160.93 27.03 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.567 1.547 . . . . 0.0 110.944 175.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -65.07 -21.07 66.76 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.8 -13.62 59.84 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 169.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.77 5.19 58.76 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.956 1.265 . . . . 0.0 114.126 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -76.52 165.86 24.21 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 117.769 0.785 . . . . 0.0 110.011 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -89.02 151.9 22.0 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.906 -0.496 . . . . 0.0 110.394 169.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -138.21 157.77 45.62 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.098 0.951 . . . . 0.0 111.228 160.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -103.73 150.32 24.16 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.538 -171.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -131.44 73.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 128.112 2.565 . . . . 0.0 107.497 166.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -86.53 120.71 28.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.406 1.482 . . . . 0.0 110.162 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -142.96 84.55 1.84 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 126.915 2.086 . . . . 0.0 110.633 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -68.78 143.7 54.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.94 164.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.91 51.31 4.82 Favored Glycine 0 CA--C 1.519 0.299 0 O-C-N 123.394 0.434 . . . . 0.0 113.925 163.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.88 -162.8 1.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.206 0.603 . . . . 0.0 109.746 172.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -137.73 177.6 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.057 -1.027 . . . . 0.0 112.32 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.25 -32.52 73.23 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -174.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -71.76 -31.93 67.15 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 173.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -75.56 -32.57 60.44 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.272 0.629 . . . . 0.0 111.619 174.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . 0.431 ' CE1' HD13 ' B' ' 50' ' ' LEU . 15.5 t80 -62.81 -40.32 97.0 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.612 -0.68 . . . . 0.0 111.673 170.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.63 -36.34 76.15 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 173.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.88 -48.16 80.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 119.033 -0.508 . . . . 0.0 110.797 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 50.4 tp -58.82 -54.05 51.48 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.239 1.016 . . . . 0.0 112.48 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.43 -41.7 97.59 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.35 -31.23 76.52 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.39 -0.672 . . . . 0.0 114.629 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -86.54 -24.79 25.35 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 118.04 0.92 . . . . 0.0 112.728 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 55.2 m -66.74 -63.89 0.97 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.107 0.563 . . . . 0.0 111.221 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 46.77 33.26 2.05 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -114.03 -179.41 3.63 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.785 1.234 . . . . 0.0 111.146 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.4 90.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 125.712 1.605 . . . . 0.0 112.029 -176.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -64.31 131.1 29.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 124.479 1.112 . . . . 0.0 110.816 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mm -116.3 -53.62 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 113.225 -1.807 . . . . 0.0 108.088 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -142.56 151.85 41.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.756 0.822 . . . . 0.0 109.687 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.431 HD13 ' CE1' ' B' ' 36' ' ' PHE . 1.7 tp -148.07 110.96 4.8 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.369 1.068 . . . . 0.0 108.796 171.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.38 107.17 15.87 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.19 1.396 . . . . 0.0 109.061 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.8 tt -105.47 139.43 40.1 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 123.292 0.637 . . . . 0.0 109.487 169.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -151.91 104.27 2.99 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -167.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -57.99 139.97 53.33 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 122.462 1.125 . . . . 0.0 111.972 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.5 t -129.49 145.74 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.356 -1.747 . . . . 0.0 107.104 160.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 C--O 1.249 1.038 0 CA-C-N 114.5 -1.227 . . . . 0.0 112.083 -161.485 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 120.644 0.259 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 86.76 -142.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.749 2.02 . . . . 0.0 109.589 -164.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -105.51 170.77 7.7 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 123.604 1.669 . . . . 0.0 112.808 168.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -129.53 129.04 43.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 130.453 3.501 . . . . 0.0 107.966 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.86 121.59 61.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 125.219 1.408 . . . . 0.0 109.144 -175.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.1 m -123.9 102.46 7.8 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -175.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.5 ttm -126.97 149.46 49.85 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.534 0.683 . . . . 0.0 112.039 -164.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 tt -136.94 106.9 6.27 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.017 1.727 . . . . 0.0 109.817 -174.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -108.63 164.41 12.39 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.649 0.738 . . . . 0.0 110.467 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -104.69 121.76 44.25 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.15 1.38 . . . . 0.0 110.95 170.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -79.48 173.12 12.91 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.737 2.415 . . . . 0.0 112.638 176.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -64.93 -24.34 67.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.72 -6.21 59.35 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.365 0.666 . . . . 0.0 112.663 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.04 19.45 79.78 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.014 0.816 . . . . 0.0 114.29 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -85.1 -26.82 26.69 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.491 1.116 . . . . 0.0 112.823 -173.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 70.8 145.73 0.06 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 128.906 2.882 . . . . 0.0 112.557 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -141.04 135.54 31.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.928 0.871 . . . . 0.0 111.64 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -114.48 132.14 56.38 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 127.586 2.354 . . . . 0.0 109.373 -173.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -150.44 142.56 24.07 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.763 0.792 . . . . 0.0 112.952 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -92.45 138.87 31.15 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.146 1.378 . . . . 0.0 110.8 173.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -145.37 98.52 3.16 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.276 1.43 . . . . 0.0 109.651 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.23 170.31 10.39 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.37 32.4 57.98 Favored Glycine 0 CA--C 1.525 0.659 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.66 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 pp -139.35 171.2 14.62 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 126.005 1.722 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 p -113.46 -179.79 3.74 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -162.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.3 mt -56.61 -39.86 74.33 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.401 0.681 . . . . 0.0 112.432 175.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.1 m -66.07 -30.47 70.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.997 0.919 . . . . 0.0 112.997 175.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -82.33 -34.88 28.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.587 1.155 . . . . 0.0 111.371 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.14 -46.79 82.4 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.384 1.074 . . . . 0.0 111.048 165.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.46 -29.87 68.11 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.781 0.832 . . . . 0.0 113.201 175.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.3 t -68.06 -55.41 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 118.575 0.625 . . . . 0.0 109.889 169.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.07 -42.89 95.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.242 0.928 . . . . 0.0 112.85 -177.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -69.63 -38.43 77.2 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.301 1.04 . . . . 0.0 112.829 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.79 -20.46 24.09 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 115.64 1.016 . . . . 0.0 115.64 -169.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -104.77 -24.9 12.85 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.682 1.241 . . . . 0.0 113.391 -172.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 83.3 m -68.29 -33.17 73.86 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.254 1.021 . . . . 0.0 112.444 -170.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.54 -0.26 0.06 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.198 2.599 . . . . 0.0 117.455 176.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -72.3 146.99 46.81 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.169 0.895 . . . . 0.0 110.481 162.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -66.81 116.11 7.33 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.875 0.47 . . . . 0.0 111.247 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.38 128.14 32.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 123.989 0.916 . . . . 0.0 111.244 176.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.3 mm -112.69 -49.77 5.75 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 127.604 2.362 . . . . 0.0 108.568 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -138.32 154.85 48.98 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.842 0.83 . . . . 0.0 111.299 169.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 tt -157.9 132.18 8.21 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.428 1.491 . . . . 0.0 108.302 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.431 HH21 ' CG ' ' A' ' 53' ' ' ASP . 25.1 mmm-85 -125.18 142.5 51.46 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 126.541 1.937 . . . . 0.0 108.645 164.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 tp -133.63 127.52 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.76 2.024 . . . . 0.0 105.695 169.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.431 ' CG ' HH21 ' A' ' 51' ' ' ARG . 1.8 m-20 -132.49 127.04 34.37 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.128 1.371 . . . . 0.0 107.8 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -63.32 121.7 14.38 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 121.144 -0.972 . . . . 0.0 108.51 161.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.332 -0.163 0 CA-C-O 122.266 1.031 . . . . 0.0 109.819 177.664 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.6 t 73.34 170.07 0.31 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.463 1.905 . . . . 0.0 111.425 -161.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -49.1 143.05 6.16 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.708 1.603 . . . . 0.0 114.099 -161.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -112.63 115.65 28.93 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 128.238 2.615 . . . . 0.0 109.311 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.0 t -102.02 124.16 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 C-N-CA 124.401 1.081 . . . . 0.0 108.709 171.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 47.8 m -121.31 95.8 4.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 32.4 ttp -103.22 158.88 16.01 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.331 0.653 . . . . 0.0 111.205 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.87 119.99 8.85 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.036 1.334 . . . . 0.0 110.416 -171.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -117.32 172.58 7.21 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.546 1.538 . . . . 0.0 110.659 -173.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -122.33 136.17 54.85 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.959 0.904 . . . . 0.0 111.609 172.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -82.17 164.84 21.0 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.101 1.76 . . . . 0.0 111.911 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -60.73 -31.18 70.5 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.838 1.255 . . . . 0.0 112.923 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -73.54 -9.78 59.04 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.382 -0.824 . . . . 0.0 112.788 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.74 0.7 66.37 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.393 1.473 . . . . 0.0 114.204 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -80.51 148.55 30.38 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.468 1.134 . . . . 0.0 111.134 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -106.61 138.97 41.81 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 123.59 0.756 . . . . 0.0 110.35 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -140.55 150.26 43.45 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.87 0.843 . . . . 0.0 112.32 -173.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -94.06 156.02 16.8 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.554 1.142 . . . . 0.0 113.087 -173.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -136.53 82.41 1.94 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.352 2.661 . . . . 0.0 108.091 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -79.44 120.29 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.342 1.457 . . . . 0.0 110.264 172.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -140.15 95.76 2.94 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.361 1.464 . . . . 0.0 110.484 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -100.97 165.32 11.39 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.163 0.985 . . . . 0.0 111.902 -173.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.07 61.72 6.3 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.873 1.225 . . . . 0.0 112.849 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pp -140.34 -160.37 1.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.446 1.099 . . . . 0.0 110.584 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.5 p -141.7 179.87 6.58 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.693 -1.254 . . . . 0.0 113.277 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.0 -36.58 84.46 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 94.7 p -68.53 -23.31 64.51 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 172.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -82.55 -36.78 25.98 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.381 1.072 . . . . 0.0 110.926 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -57.93 -41.79 83.48 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.722 -0.611 . . . . 0.0 111.384 167.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.07 -29.92 68.87 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 174.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.53 -52.28 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 118.863 0.756 . . . . 0.0 109.606 170.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 tp -59.87 -51.9 67.73 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.107 0.412 . . . . 0.0 111.242 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.81 -26.36 68.59 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.732 0.813 . . . . 0.0 113.029 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.76 -21.21 48.0 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.188 -0.785 . . . . 0.0 114.935 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -119.23 -27.75 5.58 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.836 1.318 . . . . 0.0 113.695 -173.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.3 m -124.01 -3.94 8.05 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.229 1.412 . . . . 0.0 112.086 -160.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.8 37.19 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.384 1.873 . . . . 0.0 114.044 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -73.49 86.83 1.57 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.472 1.909 . . . . 0.0 111.809 -169.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 61.43 68.78 0.69 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.365 1.866 . . . . 0.0 110.752 -167.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.32 125.47 27.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 126.059 1.744 . . . . 0.0 112.009 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.5 mm -107.68 -41.69 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 128.143 2.577 . . . . 0.0 109.769 -175.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -154.75 165.41 36.69 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 111.577 159.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -146.91 157.59 43.68 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 122.04 0.924 . . . . 0.0 111.425 160.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -117.11 144.32 44.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.827 2.051 . . . . 0.0 108.832 167.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.9 tp -134.25 123.59 24.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.212 1.805 . . . . 0.0 107.523 165.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -139.33 118.06 12.33 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.099 0.959 . . . . 0.0 109.046 -170.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.464 ' HZ2' ' C ' ' B' ' 56' ' ' LEU . 24.6 tttm -69.04 96.52 0.8 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.411 0.624 . . . . 0.0 110.699 175.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.69 143.39 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 160.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.464 ' C ' ' HZ2' ' B' ' 54' ' ' LYS . 25.8 tp . . . . . 0 C--O 1.25 1.123 0 C-N-CA 128.094 2.558 . . . . 0.0 113.482 -169.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 123.143 1.449 . . . . 0.0 112.039 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 m 144.6 -175.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.98 2.912 . . . . 0.0 109.437 -150.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -94.75 158.23 15.6 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.604 1.192 . . . . 0.0 109.863 158.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.542 ' CG ' HH12 ' A' ' 51' ' ' ARG . 1.7 t0 -107.51 137.71 45.05 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 130.871 3.668 . . . . 0.0 105.714 163.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -130.93 89.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 C-N-CA 127.209 2.204 . . . . 0.0 107.154 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.2 m -96.38 101.62 13.28 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.525 1.13 . . . . 0.0 108.296 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ttp -118.71 161.02 20.79 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.85 0.86 . . . . 0.0 109.868 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pp -152.15 158.82 43.46 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 122.652 1.215 . . . . 0.0 112.136 163.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.96 171.09 14.97 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 127.195 2.198 . . . . 0.0 110.039 -169.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -119.86 132.11 55.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.757 0.823 . . . . 0.0 110.682 173.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.24 161.38 29.38 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.292 1.037 . . . . 0.0 111.863 174.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.87 -23.71 66.46 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 173.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.21 -2.18 23.72 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.035 0.934 . . . . 0.0 112.92 170.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.97 6.08 76.2 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.397 1.475 . . . . 0.0 114.799 173.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -98.72 150.24 22.01 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.985 0.914 . . . . 0.0 111.475 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -88.58 148.55 24.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.691 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -143.41 143.31 31.57 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 124.049 0.939 . . . . 0.0 110.662 173.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -83.62 153.42 24.29 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 122.454 1.121 . . . . 0.0 112.68 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -129.52 69.73 1.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 128.29 2.636 . . . . 0.0 106.427 164.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -86.39 118.58 25.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.578 1.551 . . . . 0.0 109.564 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -134.11 146.49 50.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 125.271 1.428 . . . . 0.0 108.865 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.63 168.25 23.31 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.27 0.628 . . . . 0.0 110.109 164.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.12 62.27 Favored Glycine 0 CA--C 1.533 1.208 0 O-C-N 123.656 0.597 . . . . 0.0 112.89 -173.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -127.34 -176.95 3.89 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.868 1.667 . . . . 0.0 110.779 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 p -131.67 177.6 7.39 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.431 0.692 . . . . 0.0 112.819 -171.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.53 -33.92 75.88 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.515 -0.74 . . . . 0.0 112.381 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.0 m -71.36 -19.02 62.34 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.909 0.884 . . . . 0.0 113.041 174.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -89.32 -34.77 16.44 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.524 1.13 . . . . 0.0 110.876 174.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.65 -42.1 92.04 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.428 0.691 . . . . 0.0 112.018 166.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -53.43 -38.56 63.62 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.962 1.305 . . . . 0.0 111.794 173.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.2 t -71.35 -49.06 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.183 0.993 . . . . 0.0 111.19 174.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.6 tp -58.11 -50.64 72.77 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.88 0.763 . . . . 0.0 111.75 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -63.44 -37.09 85.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.933 0.493 . . . . 0.0 111.65 175.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.81 -16.16 80.36 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.481 0.952 . . . . 0.0 115.481 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -114.15 -31.3 6.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.936 1.368 . . . . 0.0 113.245 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.3 m -124.48 -9.59 7.43 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -159.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.96 49.0 0.23 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.722 1.609 . . . . 0.0 114.359 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.67 -68.92 0.17 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.153 2.181 . . . . 0.0 112.859 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -131.96 82.08 2.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.157 1.383 . . . . 0.0 109.388 171.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.09 145.02 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 113.59 -1.641 . . . . 0.0 110.319 -170.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 mm -125.58 -60.97 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 C-N-CA 124.975 1.31 . . . . 0.0 108.481 -169.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -135.93 152.28 50.83 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.685 1.194 . . . . 0.0 111.137 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 tt -151.72 128.73 11.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.666 1.586 . . . . 0.0 108.278 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.542 HH12 ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -138.55 88.76 2.32 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 125.685 1.594 . . . . 0.0 109.017 178.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -83.91 136.26 34.16 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.759 0.824 . . . . 0.0 109.307 166.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -151.83 118.55 5.75 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.152 1.381 . . . . 0.0 110.497 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -59.59 115.48 3.34 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.502 -0.749 . . . . 0.0 110.231 165.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 C--O 1.235 0.324 0 CA-C-O 122.699 1.238 . . . . 0.0 110.1 -177.684 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -145.64 179.33 7.5 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 127.887 2.475 . . . . 0.0 107.69 -173.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -36.35 122.54 0.75 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.066 1.746 . . . . 0.0 113.567 -169.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.02 125.38 29.31 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.517 1.127 . . . . 0.0 108.049 165.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.36 130.95 67.76 Favored 'Isoleucine or valine' 0 C--O 1.231 0.079 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 159.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 97.1 m -133.09 93.43 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.3 ttp -112.87 159.91 18.57 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.501 1.12 . . . . 0.0 111.002 -171.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -150.76 120.89 7.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.091 0.956 . . . . 0.0 110.823 -170.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -119.89 174.19 6.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.561 1.944 . . . . 0.0 110.691 -172.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -127.26 124.8 39.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 111.385 -176.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -87.29 176.92 7.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.461 1.504 . . . . 0.0 112.27 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -64.2 -23.37 67.29 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -90.21 -7.33 53.82 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.065 0.848 . . . . 0.0 111.573 173.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.42 19.38 79.47 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.19 0.9 . . . . 0.0 113.425 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -73.7 -30.81 63.08 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.349 1.075 . . . . 0.0 112.555 -173.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 77.39 138.91 0.07 Allowed 'General case' 0 C--O 1.233 0.198 0 C-N-CA 129.932 3.293 . . . . 0.0 111.986 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -134.18 147.34 50.74 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 122.361 1.077 . . . . 0.0 111.975 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -116.01 132.16 56.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.953 1.701 . . . . 0.0 110.401 -161.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -128.09 75.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 126.645 1.978 . . . . 0.0 109.008 -169.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -78.15 121.28 24.11 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.195 1.398 . . . . 0.0 110.331 167.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -145.73 93.28 2.33 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.663 1.985 . . . . 0.0 109.836 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -106.22 160.7 15.14 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.237 1.015 . . . . 0.0 111.018 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.81 36.58 18.71 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.993 -0.337 . . . . 0.0 112.656 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 pp -133.44 -165.57 1.64 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.335 1.454 . . . . 0.0 110.609 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.4 p -140.46 -177.67 5.15 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.092 -1.005 . . . . 0.0 113.063 173.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.4 mt -57.72 -36.25 71.77 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -166.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 20.0 p -69.41 -30.17 68.07 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.38 -0.825 . . . . 0.0 113.035 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -78.06 -31.8 50.47 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.608 1.163 . . . . 0.0 112.389 172.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -58.84 -47.02 86.32 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.513 -0.742 . . . . 0.0 110.955 165.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.04 -28.48 69.09 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.45 -51.74 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 119.08 0.855 . . . . 0.0 110.861 169.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.95 -49.77 76.36 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.407 0.683 . . . . 0.0 111.973 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -60.45 -45.47 93.58 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.131 1.373 . . . . 0.0 111.639 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.14 -26.57 72.5 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 118.463 -1.187 . . . . 0.0 114.835 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -96.06 -12.79 24.33 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.96 1.38 . . . . 0.0 113.89 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 81.1 p -119.47 -105.54 0.39 Allowed 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.28 0.491 . . . . 0.0 110.754 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 48.49 14.59 0.07 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.051 2.14 . . . . 0.0 114.903 -167.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.04 99.89 0.39 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.817 2.447 . . . . 0.0 112.419 -170.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 47.89 44.78 18.59 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.159 1.383 . . . . 0.0 111.332 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.6 tt -53.06 149.29 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 125.727 1.611 . . . . 0.0 114.457 -166.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.1 mm -124.02 -56.59 2.38 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 C-N-CA 127.08 2.152 . . . . 0.0 108.716 -170.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -135.55 156.31 49.09 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.588 0.631 . . . . 0.0 111.474 173.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.4 tp -150.03 105.87 3.43 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.049 1.74 . . . . 0.0 107.501 169.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -98.18 140.86 31.84 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.803 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 tt -139.47 143.49 37.56 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.83 0.852 . . . . 0.0 109.563 166.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -149.62 117.21 6.17 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.694 1.198 . . . . 0.0 109.451 -175.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -63.56 153.44 35.76 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 122.704 1.24 . . . . 0.0 112.123 175.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -120.59 157.63 23.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.725 -1.58 . . . . 0.0 107.408 172.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 tp . . . . . 0 C--O 1.251 1.14 0 C-N-CA 129.074 2.95 . . . . 0.0 114.313 -175.788 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--O 1.236 0.361 0 CA-C-O 123.714 1.721 . . . . 0.0 115.211 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.0 m 137.6 -170.51 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.24 2.616 . . . . 0.0 108.244 -143.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -92.0 147.47 22.93 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.242 1.02 . . . . 0.0 110.229 162.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -101.04 120.23 39.9 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 128.522 2.729 . . . . 0.0 107.731 166.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.7 t -124.94 101.8 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 124.343 1.057 . . . . 0.0 110.022 -174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.0 m -102.19 94.35 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.01 1.324 . . . . 0.0 108.631 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.0 ttm -96.7 160.67 14.25 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.459 0.704 . . . . 0.0 110.423 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.64 119.32 8.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.094 0.958 . . . . 0.0 109.878 -176.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -116.23 177.1 4.81 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.221 1.409 . . . . 0.0 110.513 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -131.35 136.22 47.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.047 0.939 . . . . 0.0 111.011 176.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -77.1 162.69 27.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 124.781 1.233 . . . . 0.0 111.503 173.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.43 -27.27 68.99 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.62 -7.44 54.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.474 1.109 . . . . 0.0 112.796 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.39 2.05 66.01 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.929 1.252 . . . . 0.0 114.072 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -70.9 118.95 14.33 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 118.451 1.126 . . . . 0.0 110.36 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -83.76 134.39 34.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.404 0.282 . . . . 0.0 110.682 173.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -139.9 144.74 37.32 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 122.275 1.036 . . . . 0.0 111.901 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -83.82 154.36 23.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.32 -1.309 . . . . 0.0 112.653 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -134.3 83.99 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 127.582 2.353 . . . . 0.0 107.956 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -74.2 130.01 38.93 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.629 1.171 . . . . 0.0 110.943 172.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -138.98 72.8 1.41 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 122.496 1.141 . . . . 0.0 110.728 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -81.83 57.42 3.43 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.872 2.069 . . . . 0.0 112.213 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.54 50.08 0.02 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 115.677 1.031 . . . . 0.0 115.677 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp -128.28 -176.73 3.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.527 0.731 . . . . 0.0 111.357 172.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.9 p -114.78 175.44 5.49 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.278 -0.889 . . . . 0.0 112.949 -173.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.8 mt -62.1 -33.05 73.73 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.7 m -67.61 -34.62 77.37 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 171.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -78.23 -30.77 48.96 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.719 0.807 . . . . 0.0 111.651 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -61.97 -42.71 99.44 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.584 0.754 . . . . 0.0 111.265 168.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.54 -30.61 71.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.148 0.885 . . . . 0.0 112.885 174.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -67.86 -49.98 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 121.712 -0.617 . . . . 0.0 110.731 168.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.6 -49.59 74.45 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.68 0.792 . . . . 0.0 111.594 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -69.58 -17.14 63.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.724 1.209 . . . . 0.0 113.511 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.78 -37.92 4.57 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.274 0.94 . . . . 0.0 113.935 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -102.57 -30.44 10.96 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.587 1.155 . . . . 0.0 113.197 -171.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.8 m -117.4 -10.59 10.68 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.663 0.785 . . . . 0.0 112.549 -163.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.42 37.42 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.593 1.957 . . . . 0.0 114.834 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.73 94.06 0.99 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.86 1.664 . . . . 0.0 111.92 -172.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 55.09 72.67 0.46 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 126.173 1.789 . . . . 0.0 111.906 -167.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.74 152.5 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 114.429 -1.26 . . . . 0.0 113.701 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mm -129.39 -58.33 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 126.894 2.077 . . . . 0.0 108.086 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -130.78 160.96 32.83 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.093 0.949 . . . . 0.0 112.738 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 tp -151.19 126.24 9.83 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.003 1.721 . . . . 0.0 109.456 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -117.73 135.26 54.15 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.683 1.593 . . . . 0.0 107.936 163.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 tt -138.53 135.19 34.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.66 0.784 . . . . 0.0 108.988 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -149.82 116.32 5.81 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 123.556 0.742 . . . . 0.0 109.394 -165.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -62.01 107.34 0.85 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.875 0.761 . . . . 0.0 110.287 167.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.3 t . . . . . 0 CA--C 1.518 -0.264 0 C-N-CA 124.95 1.3 . . . . 0.0 107.814 167.013 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 p30 . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 121.679 0.752 . . . . 0.0 112.67 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -130.97 175.47 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 127.137 2.175 . . . . 0.0 110.824 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -43.1 133.34 3.88 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 125.635 1.574 . . . . 0.0 113.37 -164.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.32 104.99 16.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.697 1.599 . . . . 0.0 109.538 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -102.08 133.94 44.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 C-N-CA 123.774 0.83 . . . . 0.0 109.356 172.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 35.2 m -136.34 102.38 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.516 1.126 . . . . 0.0 108.08 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 56.7 ttp -120.94 159.96 24.48 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.072 0.949 . . . . 0.0 109.521 -174.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -149.33 156.2 41.7 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 122.968 1.366 . . . . 0.0 111.805 170.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -129.75 162.28 28.77 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 127.425 2.29 . . . . 0.0 109.276 -167.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -109.72 139.97 44.14 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.471 0.708 . . . . 0.0 109.93 168.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -157.34 -179.61 8.35 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.651 1.181 . . . . 0.0 110.592 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 32.0 t70 40.19 76.14 0.07 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.336 1.855 . . . . 0.0 113.751 162.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 t0 74.32 3.69 4.38 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.424 2.289 . . . . 0.0 114.087 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.53 10.32 31.43 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.85 0.738 . . . . 0.0 113.551 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -73.14 142.42 47.46 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.26 1.03 . . . . 0.0 110.111 172.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -90.09 142.3 27.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.086 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -129.63 153.52 48.02 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.679 0.752 . . . . 0.0 110.912 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -118.94 142.46 47.75 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.746 1.218 . . . . 0.0 111.475 -158.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -137.8 77.46 1.63 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.698 1.999 . . . . 0.0 109.306 -168.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -82.98 122.15 27.93 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.808 1.643 . . . . 0.0 110.316 170.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -148.09 88.06 1.64 Allowed 'General case' 0 C--O 1.231 0.105 0 C-N-CA 125.914 1.686 . . . . 0.0 110.353 -173.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.2 169.52 10.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.004 172.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.2 34.93 57.57 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.41 0.529 . . . . 0.0 113.403 172.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -131.22 -164.08 1.4 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.553 1.141 . . . . 0.0 110.146 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 19.1 p -140.3 -179.73 6.17 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.036 -1.04 . . . . 0.0 112.86 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.48 -36.14 75.45 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -173.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 66.5 m -69.7 -21.97 63.45 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 174.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -86.34 -34.38 20.29 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.659 1.183 . . . . 0.0 111.065 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -62.14 -41.84 98.67 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.538 -0.726 . . . . 0.0 112.062 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -53.24 -40.74 64.78 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.752 1.221 . . . . 0.0 111.814 172.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.57 -50.36 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 123.303 0.641 . . . . 0.0 111.636 172.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.66 -50.18 72.86 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.566 0.746 . . . . 0.0 111.818 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -59.88 -62.91 1.52 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.038 0.935 . . . . 0.0 110.566 172.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.5 -24.09 61.29 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.42 0.928 . . . . 0.0 115.42 -171.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -89.19 -16.78 30.51 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.831 1.315 . . . . 0.0 113.21 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -128.83 -21.54 3.36 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -160.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.56 25.57 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 -165.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.2 -37.79 75.48 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.221 1.409 . . . . 0.0 114.337 -172.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -144.47 49.8 1.31 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 122.945 1.355 . . . . 0.0 109.798 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.69 138.29 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.208 -171.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.7 mm -118.42 -51.86 4.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 125.015 1.326 . . . . 0.0 110.611 -170.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -136.94 147.96 46.68 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 123.966 0.907 . . . . 0.0 111.912 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.1 tt -152.26 134.72 15.26 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.997 1.319 . . . . 0.0 109.963 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.409 HH22 ' CG ' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -130.08 133.09 46.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 127.149 2.18 . . . . 0.0 109.073 174.79 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 tt -143.95 142.86 30.97 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.217 1.407 . . . . 0.0 110.092 168.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.409 ' CG ' HH22 ' B' ' 51' ' ' ARG . 41.7 p30 -142.32 160.4 40.33 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.517 0.675 . . . . 0.0 112.492 149.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.25 122.9 19.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.958 -1.019 . . . . 0.0 108.477 153.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -75.59 144.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.794 -170.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.25 1.105 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -167.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.087 0.47 . . . . 0.0 111.665 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.2 t -163.66 -178.95 6.08 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.423 1.889 . . . . 0.0 109.747 -174.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -43.05 132.5 4.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.516 1.526 . . . . 0.0 112.849 -168.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -100.73 115.87 31.29 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.227 2.611 . . . . 0.0 108.932 171.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.24 98.12 6.55 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.086 0 C-N-CA 125.082 1.353 . . . . 0.0 109.279 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.2 m -91.42 99.42 12.38 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 170.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.8 ttp -103.04 162.42 12.95 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.181 0.592 . . . . 0.0 110.753 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.11 118.83 6.57 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.633 0.773 . . . . 0.0 111.088 -169.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -117.79 174.66 6.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.644 1.578 . . . . 0.0 110.587 -176.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -122.32 129.73 52.45 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.246 1.018 . . . . 0.0 110.826 172.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.35 161.02 30.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.424 1.489 . . . . 0.0 111.755 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -62.09 -21.47 65.0 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -76.38 -14.54 60.07 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 121.252 -0.905 . . . . 0.0 113.013 170.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.58 5.62 53.79 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 127.103 2.287 . . . . 0.0 114.062 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -81.38 125.82 30.87 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.532 1.533 . . . . 0.0 110.123 -177.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -80.24 137.51 36.65 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.278 -0.264 . . . . 0.0 110.641 172.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.77 144.67 35.61 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 121.72 0.771 . . . . 0.0 112.154 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -83.79 151.94 24.91 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.495 1.118 . . . . 0.0 112.324 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -133.55 86.21 2.27 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.291 2.636 . . . . 0.0 107.869 171.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -77.25 118.46 19.77 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.101 1.36 . . . . 0.0 110.399 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -136.49 98.04 3.72 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.937 1.295 . . . . 0.0 110.401 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 166.01 15.39 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.776 1.23 . . . . 0.0 113.042 -171.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.45 42.26 95.93 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.583 0.611 . . . . 0.0 111.848 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 pp -138.85 -164.49 1.66 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.149 0.979 . . . . 0.0 110.59 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 p -138.38 179.13 6.64 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.504 -1.373 . . . . 0.0 113.462 -174.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.32 -37.99 82.33 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.34 -0.85 . . . . 0.0 112.954 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.6 m -67.63 -25.72 65.88 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.553 -0.717 . . . . 0.0 112.923 174.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -84.07 -33.81 24.34 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.703 1.201 . . . . 0.0 110.92 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -59.28 -42.53 91.46 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.224 -0.923 . . . . 0.0 111.403 166.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -59.79 -27.69 66.79 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.97 -50.6 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.257 0.623 . . . . 0.0 110.49 169.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.5 tp -55.31 -49.98 70.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.328 0.651 . . . . 0.0 111.361 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -62.11 -34.85 77.1 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.433 1.093 . . . . 0.0 112.6 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.89 -23.84 58.97 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 119.237 -0.757 . . . . 0.0 114.834 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -111.95 -27.23 8.52 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.588 1.194 . . . . 0.0 113.709 -171.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 m -129.4 -6.85 4.74 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.641 0.776 . . . . 0.0 112.69 -160.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.59 25.18 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -71.07 107.01 3.92 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.777 2.031 . . . . 0.0 111.724 -174.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 57.93 58.62 3.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.837 1.655 . . . . 0.0 112.129 -171.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 tp -58.65 128.31 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 127.777 2.431 . . . . 0.0 113.155 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.5 mm -119.65 -60.51 2.55 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 C-N-CA 128.372 2.669 . . . . 0.0 107.449 -177.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -133.11 159.06 41.21 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.247 1.022 . . . . 0.0 112.325 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 tt -152.28 126.6 9.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.331 1.453 . . . . 0.0 108.118 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.13 89.46 2.92 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 125.828 1.651 . . . . 0.0 108.867 174.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.9 tt -89.17 136.1 33.2 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 169.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -148.91 113.37 5.3 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.329 1.452 . . . . 0.0 110.377 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -54.79 121.62 8.96 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.285 1.034 . . . . 0.0 110.538 168.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 167.067 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.42 ' OD2' ' OG ' ' B' ' 9' ' ' SER . 16.7 t70 . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.42 ' OG ' ' OD2' ' B' ' 8' ' ' ASP . 61.5 m -135.84 -176.36 4.27 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.527 1.931 . . . . 0.0 111.46 -165.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -47.74 123.12 5.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.343 1.457 . . . . 0.0 111.662 -174.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -81.0 134.22 35.64 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 163.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.13 134.63 62.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 C-N-CA 123.894 0.877 . . . . 0.0 108.768 167.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 51.2 m -133.38 95.77 3.58 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.522 1.929 . . . . 0.0 106.856 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 49.8 ttp -110.6 157.74 19.34 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.875 0.87 . . . . 0.0 109.853 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 pp -148.76 146.99 28.3 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 122.593 1.187 . . . . 0.0 112.134 171.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -119.03 175.88 5.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.633 1.973 . . . . 0.0 109.087 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -119.86 146.89 45.33 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.817 0.847 . . . . 0.0 112.754 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -143.97 175.23 10.18 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.764 1.625 . . . . 0.0 110.722 175.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 27.9 t70 30.9 72.19 0.07 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 128.471 2.708 . . . . 0.0 115.26 159.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 t70 77.83 -3.52 2.37 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.965 2.506 . . . . 0.0 114.162 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.75 6.22 3.74 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.729 1.157 . . . . 0.0 114.267 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -69.42 106.99 3.15 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.305 1.053 . . . . 0.0 109.813 174.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.59 142.36 35.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.53 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -134.34 145.63 49.19 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.969 0.907 . . . . 0.0 110.973 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -104.31 154.22 20.07 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 122.52 1.152 . . . . 0.0 113.385 -162.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -135.94 76.44 1.61 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 128.986 2.915 . . . . 0.0 108.055 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.84 124.65 27.25 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.253 1.421 . . . . 0.0 109.619 168.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -142.7 86.55 1.95 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.765 1.626 . . . . 0.0 109.378 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -83.3 153.53 24.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.168 1.387 . . . . 0.0 111.736 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.53 53.58 44.86 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.562 1.077 . . . . 0.0 113.853 169.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pp -133.09 -170.69 2.51 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.087 0.955 . . . . 0.0 110.751 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 13.1 p -127.75 176.21 7.72 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 120.887 -1.133 . . . . 0.0 113.113 -175.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.25 -33.66 76.33 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 120.745 -1.222 . . . . 0.0 112.665 -172.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.3 m -66.59 -27.6 67.85 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -81.8 -35.04 29.95 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.808 1.243 . . . . 0.0 110.988 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.04 -42.43 98.45 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.448 -0.783 . . . . 0.0 111.69 169.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.62 -37.79 68.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.61 0.764 . . . . 0.0 113.009 173.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.4 t -65.19 -50.1 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.011 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.67 -55.02 40.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.143 0.977 . . . . 0.0 111.673 178.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -62.1 -29.7 70.5 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.143 0.977 . . . . 0.0 112.778 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.72 -17.26 68.49 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-O 118.438 -1.201 . . . . 0.0 115.364 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -120.91 -23.35 5.92 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.455 1.627 . . . . 0.0 114.608 -173.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.7 m -127.83 -10.04 5.5 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -162.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.59 47.29 0.17 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.033 1.733 . . . . 0.0 113.111 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.85 -67.6 0.42 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.242 1.817 . . . . 0.0 113.445 -166.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -120.04 70.61 0.88 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.696 1.199 . . . . 0.0 107.97 171.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.55 125.84 39.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 124.827 1.251 . . . . 0.0 112.694 -163.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 47.9 mm -109.35 -66.01 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 127.206 2.202 . . . . 0.0 107.549 -176.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -129.7 146.88 51.44 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.205 0.911 . . . . 0.0 111.315 -173.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 tt -149.83 110.94 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.111 1.364 . . . . 0.0 108.67 -174.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.28 121.85 45.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.497 1.519 . . . . 0.0 108.997 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tt -120.69 139.32 53.21 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.382 1.073 . . . . 0.0 108.531 168.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -149.61 112.35 4.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.57 1.148 . . . . 0.0 109.7 -173.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -53.86 137.11 39.39 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.018 0.927 . . . . 0.0 113.2 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 18.9 t -116.87 157.86 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 149.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.8 tp . . . . . 0 C--O 1.25 1.119 0 C-N-CA 126.321 1.848 . . . . 0.0 110.503 -174.86 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 CA--C 1.539 0.538 0 CA-C-O 121.84 0.828 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -159.17 -174.1 4.55 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.986 2.114 . . . . 0.0 108.958 -176.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -39.79 129.24 2.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.162 1.785 . . . . 0.0 114.646 -163.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -92.2 113.08 25.26 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 126.088 1.755 . . . . 0.0 107.901 171.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -97.57 135.48 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 122.156 0.979 . . . . 0.0 109.016 160.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.7 m -134.47 94.91 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp -113.46 164.36 13.72 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.045 0.938 . . . . 0.0 110.51 -172.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.64 123.68 6.91 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.123 0.569 . . . . 0.0 110.61 -169.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -122.72 173.07 7.97 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.486 1.514 . . . . 0.0 111.391 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -125.44 133.58 52.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.259 1.023 . . . . 0.0 110.269 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -78.61 164.68 24.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.508 1.523 . . . . 0.0 112.055 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.03 -32.26 66.0 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.9 1.68 . . . . 0.0 112.602 172.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -72.99 -1.49 17.29 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.177 0.991 . . . . 0.0 112.522 173.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.16 2.18 90.49 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 125.41 1.481 . . . . 0.0 113.687 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.32 126.63 31.39 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 125.225 1.41 . . . . 0.0 110.71 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -87.06 137.22 32.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.585 0.354 . . . . 0.0 110.49 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -135.86 144.61 45.72 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.848 0.832 . . . . 0.0 111.202 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -85.32 153.76 22.35 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.921 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -134.71 75.5 1.58 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 128.097 2.559 . . . . 0.0 107.957 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -74.45 120.79 20.5 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.087 1.355 . . . . 0.0 110.035 169.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -144.11 98.32 3.2 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.899 0.879 . . . . 0.0 109.941 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -118.17 163.45 16.64 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.929 0.892 . . . . 0.0 111.538 -169.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.93 36.53 73.58 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 116.383 -0.371 . . . . 0.0 112.194 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -130.82 -157.11 0.8 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.09 0.956 . . . . 0.0 110.622 -175.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.5 p -142.67 179.27 7.08 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 120.884 -1.135 . . . . 0.0 113.086 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.46 -34.91 78.79 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.314 -0.866 . . . . 0.0 112.695 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.9 m -66.42 -28.4 68.59 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.758 0.423 . . . . 0.0 111.753 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -80.09 -33.96 38.38 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.406 1.082 . . . . 0.0 111.546 175.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -62.5 -42.36 99.45 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.34 -0.85 . . . . 0.0 111.768 168.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.5 -35.51 70.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.003 0.921 . . . . 0.0 112.288 173.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.52 -52.83 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.193 0.597 . . . . 0.0 110.147 171.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.8 tp -55.87 -51.61 66.95 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.627 0.649 . . . . 0.0 112.084 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.52 -47.89 83.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.396 1.079 . . . . 0.0 111.251 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.92 -27.71 70.05 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.732 0.682 . . . . 0.0 114.641 -176.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -79.98 -39.53 29.9 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.753 1.277 . . . . 0.0 111.002 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.6 m -69.25 -47.32 65.01 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.974 0.509 . . . . 0.0 110.542 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.95 27.31 5.42 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.909 2.484 . . . . 0.0 115.754 168.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -125.71 165.08 19.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.015 0.926 . . . . 0.0 111.299 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -66.13 103.02 0.89 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.279 1.432 . . . . 0.0 111.202 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.73 145.17 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 125.427 1.491 . . . . 0.0 112.604 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.3 mm -98.63 -57.54 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 126.117 1.767 . . . . 0.0 108.522 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -136.75 151.1 48.83 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.346 1.058 . . . . 0.0 110.871 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 tp -150.44 116.6 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.993 1.717 . . . . 0.0 107.936 178.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -115.56 141.82 47.56 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 123.903 0.881 . . . . 0.0 108.99 165.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.32 140.02 37.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 124.085 0.866 . . . . 0.0 109.644 161.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.94 151.86 36.55 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.324 0.583 . . . . 0.0 112.249 165.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -65.95 155.09 37.56 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.025 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 122.986 1.374 . . . . 0.0 114.037 179.443 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 121.493 0.663 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.49 168.57 0.08 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.89 1.276 . . . . 0.0 112.809 -157.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -56.02 152.59 10.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.68 1.229 . . . . 0.0 113.349 -168.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.69 123.39 43.69 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 126.356 1.862 . . . . 0.0 109.009 -178.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.9 t -122.74 143.51 35.36 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 125.527 1.531 . . . . 0.0 110.704 -177.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 81.8 m -138.0 101.02 4.32 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 125.266 1.426 . . . . 0.0 107.803 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 26.2 ttp -109.05 157.74 18.41 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.353 0.661 . . . . 0.0 110.6 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -148.21 116.13 6.41 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.74 0.816 . . . . 0.0 110.024 -173.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -117.26 170.81 8.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.363 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -121.15 127.44 51.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.174 1.39 . . . . 0.0 110.167 171.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -77.54 166.79 22.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.337 1.055 . . . . 0.0 111.506 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -65.75 -19.27 65.83 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -83.26 -0.78 51.11 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.884 0.874 . . . . 0.0 113.037 170.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.21 0.2 74.26 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.945 1.736 . . . . 0.0 114.083 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -83.81 130.21 34.93 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.68 1.74 . . . . 0.0 110.955 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -84.71 139.4 32.03 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.512 0.725 . . . . 0.0 111.064 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -141.51 145.65 35.44 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.804 0.811 . . . . 0.0 111.817 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -86.67 152.22 22.75 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 124.427 1.091 . . . . 0.0 112.323 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -134.15 77.06 1.68 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 128.455 2.702 . . . . 0.0 107.979 172.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -70.39 128.5 36.4 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.668 0.787 . . . . 0.0 109.716 166.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -142.38 89.39 2.15 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 124.504 1.121 . . . . 0.0 109.821 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -91.33 135.17 34.0 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.952 1.301 . . . . 0.0 110.525 176.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.55 51.91 3.33 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 124.426 1.012 . . . . 0.0 112.519 169.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.65 -163.65 1.45 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.426 1.09 . . . . 0.0 110.796 176.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 33.0 p -132.12 174.85 9.77 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 120.474 -1.391 . . . . 0.0 112.398 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 19.6 mt -59.93 -37.07 78.43 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.416 -0.803 . . . . 0.0 112.388 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 33.0 m -63.56 -25.26 68.16 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 173.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -87.51 -32.42 19.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.896 1.278 . . . . 0.0 111.481 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.81 -41.75 96.32 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.569 -0.707 . . . . 0.0 111.513 167.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -58.53 -33.72 70.18 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.777 0.831 . . . . 0.0 112.435 173.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -70.42 -51.94 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.503 170.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 50.6 tp -52.4 -56.73 13.04 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.34 1.056 . . . . 0.0 111.917 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -64.1 -39.75 94.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.5 1.12 . . . . 0.0 112.195 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.47 -25.54 60.87 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.423 -0.654 . . . . 0.0 114.703 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -100.74 -27.28 13.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.399 1.099 . . . . 0.0 113.668 -171.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 63.0 m -71.15 -33.47 70.08 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -169.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.65 -1.2 0.08 Allowed 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 117.407 2.373 . . . . 0.0 117.407 169.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -76.6 160.2 29.63 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.57 1.077 . . . . 0.0 111.575 170.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.35 116.23 4.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.74 1.216 . . . . 0.0 111.042 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.96 124.19 39.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 124.908 1.283 . . . . 0.0 112.83 -173.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 25.6 mm -112.19 -51.37 5.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 C-N-CA 127.992 2.517 . . . . 0.0 108.752 -170.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -140.69 154.79 46.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.254 1.021 . . . . 0.0 111.293 172.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -147.1 156.15 42.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 122.317 1.056 . . . . 0.0 112.255 153.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -136.19 139.35 42.76 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.05 2.14 . . . . 0.0 108.521 170.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.7 tt -137.97 135.65 36.2 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 126.209 1.804 . . . . 0.0 108.579 166.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -134.0 135.16 43.24 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 125.029 1.332 . . . . 0.0 109.144 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 149.61 50.15 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.137 157.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 29.3 m -99.42 127.08 52.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.453 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 C--O 1.247 0.973 0 C-N-CA 128.271 2.628 . . . . 0.0 113.91 -174.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 N--CA 1.468 0.475 0 CA-C-O 121.552 0.692 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.1 p -146.69 169.16 19.61 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.453 1.901 . . . . 0.0 110.136 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -44.66 140.71 2.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.197 2.199 . . . . 0.0 114.143 -155.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -104.75 116.48 32.09 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 125.631 1.573 . . . . 0.0 109.516 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.23 88.39 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.377 1.471 . . . . 0.0 110.615 -172.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.4 m -82.17 127.71 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.023 0.929 . . . . 0.0 108.66 176.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.4 ttm -137.3 145.12 43.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 118.593 0.633 . . . . 0.0 111.126 -174.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.3 141.79 43.85 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 122.865 1.317 . . . . 0.0 111.644 170.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 47' ' ' ILE . 17.9 mt -135.84 171.15 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.541 1.937 . . . . 0.0 108.935 -167.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -121.33 129.68 53.22 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.85 0.833 . . . . 0.0 111.788 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -74.97 160.5 30.49 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.088 1.355 . . . . 0.0 111.479 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -63.17 -21.88 66.5 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 175.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -82.99 1.43 39.9 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.455 0.702 . . . . 0.0 112.57 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.97 0.96 73.7 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.803 1.668 . . . . 0.0 114.216 175.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -78.71 131.32 36.56 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 118.102 0.951 . . . . 0.0 110.192 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -92.5 116.01 28.61 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.699 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -113.38 142.66 45.62 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.874 0.845 . . . . 0.0 110.4 -175.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -126.82 134.16 50.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.988 1.715 . . . . 0.0 109.358 -160.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -150.82 148.59 28.67 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.968 0.89 . . . . 0.0 112.377 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.83 138.86 32.88 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.923 1.289 . . . . 0.0 110.699 176.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -138.21 84.75 2.05 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.566 0.747 . . . . 0.0 109.303 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 169.92 8.31 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.699 0.8 . . . . 0.0 112.912 -178.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.02 43.87 96.72 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 123.459 0.552 . . . . 0.0 111.77 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 pp -136.91 -175.41 4.02 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.905 1.282 . . . . 0.0 110.44 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 p -133.93 -178.25 4.93 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 121.114 -0.991 . . . . 0.0 112.254 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.18 -28.84 67.63 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -164.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.2 p -68.29 -27.06 65.98 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -79.36 -33.13 43.22 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.315 1.046 . . . . 0.0 111.697 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -63.7 -41.07 98.17 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.779 -0.576 . . . . 0.0 111.531 169.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.19 -28.98 68.41 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.631 0.773 . . . . 0.0 113.013 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.8 t -69.13 -50.93 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 118.711 0.687 . . . . 0.0 110.317 170.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.2 tp -55.89 -52.37 64.3 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.091 0.86 . . . . 0.0 111.265 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -63.25 -33.66 75.97 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.703 1.201 . . . . 0.0 113.195 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.39 -19.6 48.69 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.463 1.029 . . . . 0.0 115.244 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -118.28 -26.21 6.37 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.543 1.172 . . . . 0.0 113.523 -170.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 m -123.0 -14.82 7.51 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.863 0.465 . . . . 0.0 112.149 -162.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.41 31.05 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.689 2.395 . . . . 0.0 115.949 -175.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.02 100.36 1.22 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.735 2.414 . . . . 0.0 111.171 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 53.55 76.59 0.21 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.616 1.966 . . . . 0.0 112.56 -159.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.445 ' HA ' HD22 ' A' ' 16' ' ' LEU . 9.6 tp -65.61 131.59 31.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 125.864 1.666 . . . . 0.0 112.478 166.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.0 mm -124.79 -55.91 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 126.93 2.092 . . . . 0.0 107.542 -176.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' HE2' ' OD1' ' B' ' 53' ' ' ASP . 20.6 ttmt -143.93 147.06 33.43 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 118.979 0.809 . . . . 0.0 111.504 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.29 148.33 36.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.168 163.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 102.98 5.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 126.109 1.764 . . . . 0.0 108.68 -177.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.6 tt -110.15 132.18 54.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.476 1.91 . . . . 0.0 109.102 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.86 144.0 48.66 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 123.863 0.865 . . . . 0.0 109.372 165.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 148.56 51.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.294 -0.962 . . . . 0.0 110.145 153.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.9 m . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 121.209 0.528 . . . . 0.0 111.131 -167.359 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t0 . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.94 174.66 10.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.879 0.872 . . . . 0.0 112.641 -172.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.523 ' CZ ' HD21 ' B' ' 33' ' ' LEU . 42.8 m-85 -46.14 145.5 1.59 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.026 2.13 . . . . 0.0 111.877 -163.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -81.93 149.79 28.04 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 121.822 -0.549 . . . . 0.0 110.56 154.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.1 t -135.55 87.83 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 125.765 1.626 . . . . 0.0 107.392 161.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 61.4 m -65.52 118.64 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 165.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 54.3 ttm -134.17 144.94 48.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 119.085 0.857 . . . . 0.0 110.556 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.36 130.25 30.38 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.115 173.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -119.72 165.45 14.51 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.272 1.429 . . . . 0.0 109.979 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -111.48 119.91 40.37 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.595 1.158 . . . . 0.0 110.303 169.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.464 ' HA ' ' OD1' ' B' ' 45' ' ' ASP . 7.9 p-10 -75.34 172.83 11.77 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.834 2.053 . . . . 0.0 112.658 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -60.76 -28.69 68.91 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.302 1.441 . . . . 0.0 113.805 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -90.82 -5.37 55.7 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.581 -0.699 . . . . 0.0 112.707 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.23 16.48 69.21 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.863 -0.965 . . . . 0.0 114.654 171.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -70.72 -33.21 70.62 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.773 1.286 . . . . 0.0 112.709 -172.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 67.77 133.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 128.188 2.595 . . . . 0.0 112.314 -170.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -138.62 152.91 48.53 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.424 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -137.0 137.98 40.01 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 126.547 1.939 . . . . 0.0 109.934 -164.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -154.58 145.53 22.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.406 0.622 . . . . 0.0 111.778 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -83.95 103.59 13.32 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.521 1.128 . . . . 0.0 109.913 166.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -94.66 82.3 3.93 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -113.23 167.89 10.18 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.241 1.016 . . . . 0.0 113.392 -168.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.43 35.95 69.01 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.895 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 pp -143.07 -173.51 3.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.809 1.243 . . . . 0.0 110.561 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -132.28 -175.58 3.79 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.26 -0.9 . . . . 0.0 113.147 -169.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' B' ' 10' ' ' TYR . 3.8 mm? -74.28 -26.54 60.26 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 121.002 -1.061 . . . . 0.0 113.4 -166.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 37.7 p -74.12 -24.52 59.46 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.309 1.044 . . . . 0.0 112.541 167.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -81.0 -35.04 32.48 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.124 0.97 . . . . 0.0 111.07 174.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -58.33 -43.38 88.19 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.938 0.895 . . . . 0.0 111.667 164.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -56.92 -36.2 69.92 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.293 1.037 . . . . 0.0 112.423 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -68.22 -51.62 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 123.394 0.678 . . . . 0.0 110.731 171.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.52 -52.34 64.01 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.949 0.795 . . . . 0.0 112.382 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -67.73 -23.21 65.23 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.636 1.175 . . . . 0.0 113.192 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.37 -34.84 6.85 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.786 0.708 . . . . 0.0 114.379 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -96.86 -26.1 15.21 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -167.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 61.1 m -72.42 -33.9 67.44 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -167.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 59.5 -11.49 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.334 2.654 . . . . 0.0 117.665 172.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.464 ' OD1' ' HA ' ' B' ' 18' ' ' ASP . 23.0 m-20 -68.65 155.94 39.11 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.522 1.056 . . . . 0.0 111.143 166.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -72.66 127.23 31.92 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.945 0.498 . . . . 0.0 111.398 -168.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 tp -71.51 122.77 24.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 C-N-CA 124.692 1.197 . . . . 0.0 112.813 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 48.1 mm -114.75 -48.4 4.93 Favored 'Isoleucine or valine' 0 C--N 1.338 0.097 0 C-N-CA 127.204 2.202 . . . . 0.0 108.949 -176.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -146.6 145.37 30.06 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 123.564 0.746 . . . . 0.0 112.355 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 tp -150.16 122.39 8.36 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.682 1.593 . . . . 0.0 109.431 177.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -128.45 93.92 3.76 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 125.227 1.411 . . . . 0.0 109.591 173.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.7 tt -86.0 136.28 33.32 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.407 1.083 . . . . 0.0 109.691 171.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.491 ' OD1' ' HE2' ' A' ' 49' ' ' LYS . 30.1 t70 -152.28 111.73 3.92 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.795 0.838 . . . . 0.0 111.281 -172.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' B' ' 10' ' ' TYR . 28.2 tptp -60.05 104.15 0.28 Allowed 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 122.999 1.38 . . . . 0.0 110.281 163.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.5 m -57.84 165.57 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 112.069 -2.332 . . . . 0.0 111.424 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.248 1.016 0 C-N-CA 125.768 1.627 . . . . 0.0 112.855 179.542 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.419 ' H ' HG23 ' A' ' 55' ' ' VAL . 9.5 t0 . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 p -148.0 171.47 15.76 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.503 2.321 . . . . 0.0 108.861 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -48.35 154.66 0.59 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.76 1.624 . . . . 0.0 115.002 -158.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.78 108.04 12.58 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.614 1.966 . . . . 0.0 110.011 -171.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.9 t -101.28 140.23 20.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 124.6 1.16 . . . . 0.0 109.702 174.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.7 m -136.91 99.56 4.06 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.512 1.125 . . . . 0.0 108.195 166.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.5 mtm -98.66 166.93 11.1 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.347 168.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -151.58 151.51 31.64 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 122.467 1.127 . . . . 0.0 111.185 166.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -128.68 178.58 6.23 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 127.569 2.347 . . . . 0.0 108.955 -175.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -127.37 142.33 51.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.662 0.785 . . . . 0.0 110.508 173.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -139.32 -178.58 5.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.514 1.526 . . . . 0.0 110.392 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.1 t0 28.93 76.42 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 128.019 2.528 . . . . 0.0 114.322 156.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 t70 72.76 0.5 3.67 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.78 2.032 . . . . 0.0 114.297 171.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.13 4.68 5.44 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 125.11 1.338 . . . . 0.0 113.586 -177.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -60.14 107.29 0.62 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.821 1.648 . . . . 0.0 110.104 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -70.35 138.16 51.18 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 168.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -139.71 151.19 45.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.69 0.757 . . . . 0.0 111.278 171.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -103.06 152.36 21.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.988 -172.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -133.46 77.55 1.73 Allowed 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.569 1.948 . . . . 0.0 107.765 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -98.98 129.14 45.26 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.539 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -148.57 99.67 3.03 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 126.062 1.745 . . . . 0.0 108.608 -167.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.9 171.32 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.443 0.697 . . . . 0.0 111.897 174.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.56 40.16 54.58 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 123.583 0.611 . . . . 0.0 112.123 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.02 -167.15 2.16 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.645 1.178 . . . . 0.0 110.407 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -132.71 178.05 7.15 Favored 'General case' 0 C--O 1.232 0.175 0 O-C-N 120.824 -1.173 . . . . 0.0 112.712 -176.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.27 -37.25 79.89 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.285 -0.885 . . . . 0.0 113.245 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.9 m -70.72 -18.62 62.8 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -89.23 -34.18 16.72 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.498 1.119 . . . . 0.0 110.974 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -58.04 -44.05 87.18 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.852 -0.53 . . . . 0.0 111.355 166.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -57.55 -32.68 67.34 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.48 -48.08 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 122.986 0.514 . . . . 0.0 110.851 173.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.8 -49.28 78.32 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.247 1.019 . . . . 0.0 111.468 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.82 -46.79 84.2 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.512 0.725 . . . . 0.0 111.213 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.69 -17.06 70.68 Favored Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.456 0.942 . . . . 0.0 115.456 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -110.36 -31.83 7.16 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.963 1.381 . . . . 0.0 113.772 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 m -126.22 -14.93 5.86 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -156.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.43 28.33 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.85 109.01 1.12 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.536 1.534 . . . . 0.0 112.289 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 52.97 42.85 32.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.863 1.665 . . . . 0.0 113.072 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.412 HD11 ' HB3' ' A' ' 50' ' ' LEU . 6.5 tt -53.32 156.23 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 125.529 1.532 . . . . 0.0 115.129 -171.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.3 mm -116.94 -64.42 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 C-N-CA 127.899 2.48 . . . . 0.0 108.527 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -133.34 155.56 49.22 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 122.036 0.922 . . . . 0.0 112.131 175.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.412 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -148.87 120.46 8.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 113.075 -1.875 . . . . 0.0 108.789 173.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -106.72 139.21 41.51 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.369 1.467 . . . . 0.0 109.332 170.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.4 tp -134.48 146.43 49.76 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.347 1.059 . . . . 0.0 108.902 164.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.53 133.36 30.72 Favored 'General case' 0 C--O 1.241 0.605 0 C-N-CA 126.844 2.058 . . . . 0.0 107.106 177.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.9 148.45 47.75 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 116.977 -1.889 . . . . 0.0 108.714 148.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 8' ' ' ASP . 27.0 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.553 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 122.052 0.93 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.7 m -140.39 -174.88 4.07 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.943 1.697 . . . . 0.0 110.528 -170.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -63.07 148.06 48.94 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.193 0.521 . . . . 0.0 110.048 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -99.43 155.19 17.67 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 152.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.5 t -128.03 89.37 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.744 1.218 . . . . 0.0 108.097 163.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 3.7 m -64.94 128.96 37.92 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 165.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.5 ttm -143.14 146.1 33.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 122.107 0.956 . . . . 0.0 111.764 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -125.29 112.88 16.89 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 126.389 1.876 . . . . 0.0 109.447 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.56 165.32 11.9 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 113.955 -1.475 . . . . 0.0 109.803 176.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -119.59 121.5 39.46 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.745 1.218 . . . . 0.0 109.227 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.77 163.36 14.26 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 122.408 1.099 . . . . 0.0 110.599 175.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -32.36 67.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.038 1.735 . . . . 0.0 113.021 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -75.76 -7.3 54.07 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.09 0.556 . . . . 0.0 112.228 174.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.36 3.25 63.26 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.433 1.492 . . . . 0.0 113.694 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -77.98 119.9 22.07 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 118.182 0.991 . . . . 0.0 110.663 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -82.46 132.12 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.536 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -134.55 125.13 26.67 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 122.255 1.026 . . . . 0.0 112.139 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -98.99 130.06 45.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 126.223 1.809 . . . . 0.0 110.302 -172.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -141.01 139.71 34.19 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.642 0.777 . . . . 0.0 111.749 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.18 133.85 33.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.366 159.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -119.9 76.07 1.13 Allowed 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 122.178 0.99 . . . . 0.0 108.497 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -77.9 161.41 27.6 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.762 1.625 . . . . 0.0 111.196 -175.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.79 30.73 63.33 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.797 -0.638 . . . . 0.0 113.101 171.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 16.0 mt -115.96 -179.05 3.55 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.835 1.254 . . . . 0.0 111.847 -171.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 13.3 p -134.33 179.39 6.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.412 -0.805 . . . . 0.0 111.148 171.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.61 -34.24 75.29 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -66.83 -26.73 67.06 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 173.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -87.64 -29.42 21.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.378 1.071 . . . . 0.0 111.574 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -58.83 -44.73 90.99 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.565 -0.709 . . . . 0.0 111.049 165.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.38 -27.88 67.76 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 175.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.74 -53.96 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 118.419 0.554 . . . . 0.0 110.348 171.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.99 -53.59 56.65 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.097 0.408 . . . . 0.0 111.396 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.53 -53.35 58.51 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.02 0.928 . . . . 0.0 111.269 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.92 -24.05 69.79 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-O 119.25 -0.75 . . . . 0.0 114.895 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -98.25 -26.41 14.54 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.409 1.104 . . . . 0.0 113.118 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.0 -14.38 6.09 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -155.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.31 24.6 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -168.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -79.05 98.08 6.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.434 1.894 . . . . 0.0 111.184 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 62.01 52.4 3.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.566 1.947 . . . . 0.0 112.444 -164.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.86 129.39 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.136 160.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.8 mm -105.7 -49.03 8.99 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 C-N-CA 124.221 1.009 . . . . 0.0 109.405 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -142.66 156.26 45.03 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.789 0.836 . . . . 0.0 111.3 171.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 pp -148.05 157.37 43.47 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.256 0.551 . . . . 0.0 110.867 155.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -143.38 94.42 2.61 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 127.086 2.154 . . . . 0.0 107.866 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tt -81.14 139.93 35.31 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.852 0.861 . . . . 0.0 109.636 167.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -148.82 122.16 9.02 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.988 0.915 . . . . 0.0 110.235 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -65.56 92.15 0.14 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 122.32 1.057 . . . . 0.0 108.301 160.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.37 -0.65 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 -159.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.254 1.308 0 C-N-CA 129.26 3.024 . . . . 0.0 112.971 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -146.24 177.76 8.76 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.899 0.88 . . . . 0.0 112.219 171.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -50.23 149.31 2.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.713 1.605 . . . . 0.0 113.787 -163.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -87.73 140.63 29.31 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.112 0.965 . . . . 0.0 110.276 163.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 t -135.32 85.57 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.833 1.653 . . . . 0.0 107.726 164.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.5 m -77.76 116.58 18.39 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 2.9 tpp -127.58 155.52 43.72 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.485 0.66 . . . . 0.0 110.236 -170.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 14' ' ' MET . 3.2 pp -135.06 144.79 47.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.786 0.834 . . . . 0.0 111.918 158.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.82 155.55 42.43 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.947 1.699 . . . . 0.0 109.641 -168.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -69.84 123.89 22.62 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.221 0.534 . . . . 0.0 111.721 175.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -71.7 164.71 25.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.525 1.93 . . . . 0.0 111.907 168.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -53.63 -34.95 60.3 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.867 1.267 . . . . 0.0 113.21 169.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.74 -3.6 26.23 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.603 1.161 . . . . 0.0 113.268 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.47 1.61 80.73 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.26 1.41 . . . . 0.0 114.455 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -92.03 147.61 22.82 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 118.672 1.236 . . . . 0.0 111.671 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -73.86 113.04 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 123.624 0.77 . . . . 0.0 109.14 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -105.27 140.84 37.81 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.648 0.737 . . . . 0.0 110.048 174.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -97.74 135.68 39.18 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 126.807 2.043 . . . . 0.0 110.503 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -151.03 125.66 9.6 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.105 0.955 . . . . 0.0 112.203 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -69.64 134.95 49.32 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.326 168.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -130.8 79.85 1.92 Allowed 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 124.064 0.946 . . . . 0.0 108.508 167.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.7 164.21 13.99 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.165 0.986 . . . . 0.0 111.498 -176.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.31 36.76 59.5 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 pp -138.56 170.86 15.26 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 125.834 1.653 . . . . 0.0 109.884 175.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.1 p -114.75 178.57 4.23 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -170.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.96 -25.53 64.59 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.615 -1.303 . . . . 0.0 114.189 -169.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.6 p -75.12 -27.27 59.74 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.646 0.779 . . . . 0.0 112.799 169.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -76.89 -33.73 57.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.51 1.124 . . . . 0.0 110.91 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -60.02 -43.09 95.49 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.255 1.022 . . . . 0.0 112.033 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -55.21 -38.56 68.58 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 172.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.98 -44.99 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 123.892 0.877 . . . . 0.0 110.821 175.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.48 -52.49 65.43 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.03 0.832 . . . . 0.0 111.444 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -57.81 -47.21 83.26 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.545 0.738 . . . . 0.0 111.458 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.12 -24.97 63.8 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.048 1.309 . . . . 0.0 115.219 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -95.5 -1.01 51.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.847 1.259 . . . . 0.0 114.039 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.1 p -53.88 -53.72 48.59 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.12 0.873 . . . . 0.0 112.984 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.37 -5.51 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 128.877 2.871 . . . . 0.0 117.832 170.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -130.93 -177.84 4.55 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 128.204 2.602 . . . . 0.0 111.116 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.03 88.34 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.967 1.307 . . . . 0.0 113.514 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 tp -65.5 122.17 15.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 129.093 2.957 . . . . 0.0 110.864 168.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.3 mm -114.18 -66.47 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 C-N-CA 126.252 1.821 . . . . 0.0 109.029 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -133.23 138.79 46.65 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.333 1.424 . . . . 0.0 113.067 -170.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 tt -146.67 119.93 8.94 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.245 2.218 . . . . 0.0 108.571 -170.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -126.44 91.7 3.41 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.699 1.6 . . . . 0.0 110.188 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 tt -82.79 138.14 34.09 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.824 0.85 . . . . 0.0 110.146 168.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -152.01 118.88 5.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.323 1.449 . . . . 0.0 109.458 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 144.4 53.03 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-O 121.874 0.845 . . . . 0.0 111.613 173.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.396 -179.258 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 C--O 1.234 0.272 0 CA-C-O 123.041 1.401 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.4 m 138.1 -174.91 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.971 2.908 . . . . 0.0 111.205 -144.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -94.52 162.28 13.87 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.179 1.392 . . . . 0.0 109.82 151.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -126.73 126.31 43.26 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 128.198 2.599 . . . . 0.0 107.945 173.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -126.24 97.27 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 C-N-CA 124.546 1.139 . . . . 0.0 109.841 -171.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 10.2 m -90.03 94.39 9.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.233 1.013 . . . . 0.0 108.496 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 54.2 ttm -94.05 154.24 17.73 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.633 0.73 . . . . 0.0 109.954 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -147.3 113.76 5.97 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.705 1.202 . . . . 0.0 109.898 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.42 -173.66 2.35 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.544 1.138 . . . . 0.0 110.421 173.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -118.07 134.14 55.26 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.705 1.202 . . . . 0.0 110.48 167.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.51 161.07 30.79 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.478 1.911 . . . . 0.0 111.461 173.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -55.21 -29.67 58.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.214 1.406 . . . . 0.0 113.105 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -71.89 -3.15 20.78 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.97 0.908 . . . . 0.0 113.357 174.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.02 13.9 78.33 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.266 1.412 . . . . 0.0 113.693 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -107.34 152.15 24.53 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.63 1.572 . . . . 0.0 110.736 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -68.76 152.22 45.61 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 122.023 0.916 . . . . 0.0 112.87 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -136.85 92.46 2.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.644 1.977 . . . . 0.0 108.594 -163.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -81.37 127.63 32.96 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.558 1.943 . . . . 0.0 111.645 -169.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -132.8 79.97 1.87 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.095 1.758 . . . . 0.0 108.589 -173.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -83.47 131.28 35.03 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 111.426 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -140.48 82.11 1.84 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.877 1.271 . . . . 0.0 111.066 -176.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -69.49 166.15 19.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.027 1.331 . . . . 0.0 110.193 166.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.23 26.22 72.66 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.081 -0.844 . . . . 0.0 114.633 159.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.06 -172.75 2.96 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.103 0.961 . . . . 0.0 111.849 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.4 p -127.95 176.97 7.18 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -173.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.21 -42.25 76.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.955 0.902 . . . . 0.0 112.792 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 26.6 m -67.14 -30.7 70.76 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.55 -0.719 . . . . 0.0 112.775 176.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.88 -34.87 57.74 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.748 0.819 . . . . 0.0 111.2 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -58.72 -44.92 90.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.703 1.201 . . . . 0.0 111.82 169.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -57.92 -38.23 75.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.344 0.657 . . . . 0.0 112.053 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -66.41 -49.61 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.144 0.578 . . . . 0.0 111.2 171.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 tp -52.65 -54.92 26.65 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.969 0.908 . . . . 0.0 111.144 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.84 -50.34 73.63 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.421 1.088 . . . . 0.0 111.501 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.09 -17.88 56.42 Favored Glycine 0 CA--C 1.534 1.263 0 N-CA-C 115.537 0.975 . . . . 0.0 115.537 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -111.52 -19.45 12.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.844 1.258 . . . . 0.0 113.875 -175.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.49 -13.44 2.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -161.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.56 48.48 0.19 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -172.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.36 98.0 11.52 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.528 1.531 . . . . 0.0 111.392 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 64.62 71.52 0.46 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.563 1.945 . . . . 0.0 111.625 -172.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tt -72.94 137.56 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.412 1.485 . . . . 0.0 113.616 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 37.8 mm -120.01 -58.09 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 129.562 3.145 . . . . 0.0 108.037 -175.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -137.02 160.4 39.04 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.538 1.063 . . . . 0.0 112.751 174.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tt -151.33 113.01 4.43 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.761 1.225 . . . . 0.0 109.306 173.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 94.02 4.72 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 123.982 0.913 . . . . 0.0 109.805 176.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tt -92.53 132.42 36.84 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.35 0.66 . . . . 0.0 109.271 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -146.41 120.58 9.5 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.092 1.357 . . . . 0.0 110.709 -174.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -61.13 113.3 2.5 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 121.175 -0.953 . . . . 0.0 110.153 165.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.6 t -74.37 152.56 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.245 0.845 0 C-N-CA 125.834 1.654 . . . . 0.0 112.854 -171.285 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 123.625 1.679 . . . . 0.0 113.023 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m 154.6 -175.22 0.0 OUTLIER 'General case' 0 C--O 1.237 0.421 0 C-N-CA 128.893 2.877 . . . . 0.0 108.214 -154.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -98.55 158.4 15.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 122.414 1.102 . . . . 0.0 111.217 156.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -106.39 148.8 27.66 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.628 1.571 . . . . 0.0 108.145 160.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t -130.21 90.22 1.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 124.523 1.129 . . . . 0.0 108.486 168.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.0 m -75.57 105.42 6.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 170.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 58.3 ttm -125.2 150.24 47.18 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.619 0.768 . . . . 0.0 111.332 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -135.77 117.07 14.59 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.655 1.182 . . . . 0.0 111.024 -172.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -116.29 172.29 7.28 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 126.261 1.825 . . . . 0.0 110.86 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -131.04 139.74 49.98 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.435 1.094 . . . . 0.0 110.162 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -152.8 -176.83 5.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.566 0.747 . . . . 0.0 110.252 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 36.22 75.23 0.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.42 2.688 . . . . 0.0 112.918 163.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t70 78.92 -3.32 2.22 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.024 2.129 . . . . 0.0 113.903 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.74 11.01 10.64 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.738 1.161 . . . . 0.0 113.68 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -67.05 102.96 1.07 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.449 1.5 . . . . 0.0 109.423 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -77.81 139.53 39.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.36 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -140.34 133.91 30.18 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.717 0.77 . . . . 0.0 111.645 -175.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -80.82 151.29 28.79 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.675 169.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -138.2 152.02 48.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.788 1.235 . . . . 0.0 109.956 153.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -120.09 81.55 1.76 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.239 1.416 . . . . 0.0 109.145 -169.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -85.18 71.11 10.92 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.284 0.564 . . . . 0.0 110.754 -168.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -66.45 160.55 24.69 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.788 1.235 . . . . 0.0 111.201 171.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.75 22.26 77.32 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.984 170.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 mt -105.63 -178.58 3.69 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.739 1.216 . . . . 0.0 111.777 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 p -132.44 177.25 7.74 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.73 1.212 . . . . 0.0 111.166 170.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.29 -33.21 75.01 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.279 -0.888 . . . . 0.0 112.978 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.3 m -69.23 -22.54 63.86 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 173.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -89.32 -31.25 17.9 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.388 1.075 . . . . 0.0 111.246 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -58.43 -43.81 88.88 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.617 -0.677 . . . . 0.0 111.102 164.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -56.78 -32.99 66.19 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.358 0.874 . . . . 0.0 113.358 173.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.7 t -68.84 -52.72 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 118.323 0.51 . . . . 0.0 110.396 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.02 -48.58 79.63 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.305 0.502 . . . . 0.0 111.238 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -61.25 -39.98 92.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.436 1.095 . . . . 0.0 112.758 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.47 -12.89 77.45 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 118.866 -0.963 . . . . 0.0 115.215 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -118.24 -28.83 5.7 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.665 1.233 . . . . 0.0 113.501 -174.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -126.25 -24.11 3.74 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -162.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.41 31.55 0.06 Allowed 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -175.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -57.58 -50.61 72.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.378 1.871 . . . . 0.0 113.509 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -122.7 51.76 1.38 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.483 1.513 . . . . 0.0 109.503 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 tp -60.1 126.5 17.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 126.046 1.738 . . . . 0.0 112.757 -172.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mm -110.22 -54.21 5.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.153 0 C-N-CA 127.274 2.23 . . . . 0.0 108.337 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -140.46 154.79 46.76 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 123.641 0.776 . . . . 0.0 111.226 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.41 149.14 34.19 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.946 155.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 ttp-105 -139.72 99.16 3.64 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.472 1.909 . . . . 0.0 108.26 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -99.1 141.17 32.2 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.184 174.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -149.21 124.47 10.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.8 -169.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 112.29 5.92 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 160.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.235 0.325 0 CA-C-O 122.46 1.124 . . . . 0.0 112.896 -156.895 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 CA--C 1.534 0.333 0 CA-C-O 121.03 0.443 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.7 t -168.12 -178.09 3.56 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.114 2.166 . . . . 0.0 108.874 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -39.33 128.3 1.81 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.5 1.92 . . . . 0.0 114.667 -161.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -97.91 94.82 7.1 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 126.606 1.963 . . . . 0.0 109.208 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.88 131.29 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 167.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 91.4 m -134.02 92.79 3.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.715 -1.216 . . . . 0.0 107.715 173.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.2 ttp -112.89 162.65 15.58 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.502 1.121 . . . . 0.0 109.862 -175.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -150.43 156.67 41.91 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 122.109 0.957 . . . . 0.0 111.373 167.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.84 175.67 7.49 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.007 1.723 . . . . 0.0 109.893 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -126.71 134.06 50.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.571 1.148 . . . . 0.0 109.521 171.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -72.83 160.03 32.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.404 1.481 . . . . 0.0 110.94 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.18 -27.07 68.15 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.782 0.833 . . . . 0.0 112.289 168.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.47 -7.06 45.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.901 1.28 . . . . 0.0 112.973 171.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.66 1.58 73.84 Favored Glycine 0 C--N 1.341 0.837 0 C-N-CA 124.643 1.116 . . . . 0.0 114.718 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 pttm -91.11 146.0 24.21 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.452 1.126 . . . . 0.0 110.937 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -85.27 149.47 25.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.867 174.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -143.85 142.26 30.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.683 0.754 . . . . 0.0 110.923 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -96.16 153.94 17.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 122.558 1.17 . . . . 0.0 112.738 -169.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -136.86 70.06 1.41 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.086 2.554 . . . . 0.0 107.878 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -83.93 116.51 22.82 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.346 1.458 . . . . 0.0 109.8 172.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -144.93 91.36 2.15 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.829 1.652 . . . . 0.0 110.13 -174.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.46 169.35 9.97 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 170.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.76 36.7 66.54 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 123.189 0.423 . . . . 0.0 113.141 176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.12 -164.74 1.54 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.145 0.978 . . . . 0.0 109.977 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.9 p -137.82 -178.54 5.3 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.774 -1.204 . . . . 0.0 112.943 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.96 -35.71 81.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.297 -0.877 . . . . 0.0 112.395 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 45.2 m -72.95 -18.71 61.35 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.812 0.845 . . . . 0.0 113.196 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -86.43 -37.38 18.39 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.453 1.101 . . . . 0.0 110.566 172.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -59.6 -41.31 90.06 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.564 -0.71 . . . . 0.0 111.552 166.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.43 -39.65 73.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.341 1.056 . . . . 0.0 112.212 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.04 -51.99 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.27 1.028 . . . . 0.0 109.927 172.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.58 -50.47 70.0 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.944 0.898 . . . . 0.0 112.25 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -57.55 -53.8 54.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.555 1.142 . . . . 0.0 110.594 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.24 -22.83 61.34 Favored Glycine 0 CA--C 1.534 1.269 0 N-CA-C 115.036 0.774 . . . . 0.0 115.036 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -89.57 -19.97 24.33 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.389 1.095 . . . . 0.0 112.786 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -125.96 -27.75 3.27 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -161.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.75 65.35 1.88 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.806 1.242 . . . . 0.0 113.612 -169.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.31 -64.89 0.76 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.285 1.034 . . . . 0.0 109.966 165.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -117.05 178.68 4.27 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 148.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -121.27 154.87 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 163.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.8 mm -109.44 -61.79 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -136.51 147.79 47.3 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.508 1.123 . . . . 0.0 110.559 172.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 tp -149.53 104.88 3.4 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.941 1.296 . . . . 0.0 108.937 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.1 145.15 26.84 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.859 0.864 . . . . 0.0 110.059 168.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 tt -143.54 136.76 27.9 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.996 1.318 . . . . 0.0 108.59 164.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.84 142.89 49.19 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 124.564 1.146 . . . . 0.0 108.382 169.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -63.32 153.27 35.47 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 119.389 -0.924 . . . . 0.0 111.871 161.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.6 t -136.15 8.71 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 123.255 1.502 . . . . 0.0 113.382 172.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 C--O 1.251 1.174 0 C-N-CA 131.25 3.82 . . . . 0.0 109.121 179.163 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.6 m 78.67 165.09 0.21 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.693 2.797 . . . . 0.0 111.816 -162.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -47.0 144.09 2.68 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.949 2.1 . . . . 0.0 113.565 -155.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -89.99 122.14 32.72 Favored 'General case' 0 C--O 1.231 0.081 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 165.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.3 t -106.82 135.41 45.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 158.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 m -137.44 102.29 4.74 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.0 tmm? -115.55 161.34 18.76 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.921 0.889 . . . . 0.0 109.803 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -155.1 153.26 30.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 122.191 0.996 . . . . 0.0 111.134 174.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.3 mt -140.68 173.85 11.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 126.21 1.804 . . . . 0.0 109.071 -174.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -109.52 131.81 54.72 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 122.046 0.927 . . . . 0.0 110.478 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.14 164.03 26.04 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.862 1.665 . . . . 0.0 111.03 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.92 -31.55 66.9 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.155 0.982 . . . . 0.0 113.172 173.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -74.75 -2.92 28.62 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.469 0.652 . . . . 0.0 112.542 175.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.7 8.72 79.56 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.245 1.403 . . . . 0.0 113.533 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -89.03 152.52 21.64 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.648 1.179 . . . . 0.0 111.164 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -89.52 135.66 33.47 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.097 173.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -122.37 146.82 46.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.651 0.78 . . . . 0.0 109.834 171.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -97.68 160.5 14.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.618 -174.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -147.54 69.26 1.14 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.01 2.124 . . . . 0.0 107.558 -171.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -73.57 133.78 43.61 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.079 1.752 . . . . 0.0 111.05 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -148.96 83.24 1.45 Allowed 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 125.472 1.509 . . . . 0.0 110.661 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.479 ' HE2' HG12 ' A' ' 55' ' ' VAL . 60.2 tttm -88.75 155.73 19.39 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.845 0.355 . . . . 0.0 111.507 168.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.5 33.8 9.95 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.917 -0.583 . . . . 0.0 113.759 170.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.38 -166.09 1.79 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.647 1.179 . . . . 0.0 110.194 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.0 p -135.83 -179.83 5.9 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.137 -0.977 . . . . 0.0 113.249 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.57 -36.02 81.35 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.596 -0.69 . . . . 0.0 112.618 -175.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.4 m -68.81 -22.38 64.26 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 173.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -85.65 -30.43 23.23 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.297 1.039 . . . . 0.0 111.08 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -62.13 -38.65 89.73 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.314 -0.867 . . . . 0.0 112.045 168.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -56.55 -37.12 70.08 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.187 0.903 . . . . 0.0 112.643 172.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.7 t -68.8 -48.54 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 123.792 0.837 . . . . 0.0 110.749 175.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.97 -53.13 61.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.557 1.143 . . . . 0.0 111.72 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -61.41 -44.02 97.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.688 0.795 . . . . 0.0 111.594 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.99 -25.07 70.6 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.645 0.641 . . . . 0.0 114.221 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -78.86 -21.9 46.83 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.405 1.102 . . . . 0.0 113.272 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.8 m -55.87 -62.02 1.98 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.57 1.548 . . . . 0.0 113.29 -170.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 48.29 35.9 6.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.855 1.662 . . . . 0.0 114.836 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -141.41 20.99 2.22 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.297 1.039 . . . . 0.0 112.094 -171.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 62.01 7.91 2.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.365 2.266 . . . . 0.0 116.361 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm 63.34 152.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 127.598 2.359 . . . . 0.0 113.351 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.4 mm -113.61 -59.33 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 CA-C-N 114.59 -1.186 . . . . 0.0 107.936 162.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -149.94 147.71 28.22 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 120.899 0.38 . . . . 0.0 111.272 171.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 pp -136.63 158.09 45.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.622 0.725 . . . . 0.0 111.475 163.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -135.27 145.42 47.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 127.884 2.474 . . . . 0.0 108.542 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 tt -140.62 144.68 35.91 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.519 1.128 . . . . 0.0 108.761 166.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -150.95 122.07 7.72 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.042 1.337 . . . . 0.0 108.487 -173.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 133.44 48.19 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 122.413 1.101 . . . . 0.0 110.229 165.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.479 HG12 ' HE2' ' A' ' 29' ' ' LYS . 33.3 m . . . . . 0 N--CA 1.45 -0.443 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.23 -167.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.45 ' CG ' ' H ' ' B' ' 9' ' ' SER . 23.5 t70 . . . . . 0 CA--C 1.538 0.496 0 CA-C-O 122.929 1.347 . . . . 0.0 114.17 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.45 ' H ' ' CG ' ' B' ' 8' ' ' ASP . 20.2 m 64.73 162.43 0.13 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.969 2.508 . . . . 0.0 113.339 -173.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -60.69 159.9 10.12 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.258 1.023 . . . . 0.0 112.127 -169.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -117.79 142.5 47.21 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.364 1.466 . . . . 0.0 109.45 171.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t -123.85 92.97 2.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 C-N-CA 126.338 1.855 . . . . 0.0 108.01 175.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 21.2 m -85.04 105.26 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.318 1.047 . . . . 0.0 108.485 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 4.0 mmt -114.3 150.15 34.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 125.388 1.475 . . . . 0.0 111.608 -169.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.31 113.64 8.51 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.074 0.95 . . . . 0.0 110.435 174.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.72 173.2 8.71 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.708 1.603 . . . . 0.0 109.921 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -116.86 130.35 56.65 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.593 0.757 . . . . 0.0 110.194 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -76.9 165.16 25.06 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.17 0.988 . . . . 0.0 111.849 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -57.38 -28.62 63.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.426 1.49 . . . . 0.0 113.839 173.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.53 -10.46 59.81 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.857 1.263 . . . . 0.0 112.862 172.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.78 3.69 73.68 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.997 1.284 . . . . 0.0 113.365 -175.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -80.16 117.39 20.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.068 1.347 . . . . 0.0 109.826 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -76.39 127.45 32.88 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 169.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -132.47 131.1 41.34 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.86 0.838 . . . . 0.0 111.358 -175.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -75.35 149.87 38.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.01 165.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -149.11 147.14 28.13 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.52 0.728 . . . . 0.0 110.521 160.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -115.31 86.93 2.55 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.714 1.606 . . . . 0.0 108.983 -168.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -85.93 85.3 7.38 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -86.27 164.6 17.05 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 125.06 1.344 . . . . 0.0 112.066 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.39 36.48 55.01 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.168 0.889 . . . . 0.0 113.661 166.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.38 -161.35 1.17 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.716 0.806 . . . . 0.0 111.108 -173.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 51.7 p -143.02 -176.59 4.97 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.086 -1.009 . . . . 0.0 112.94 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.2 -34.91 79.49 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -174.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.0 p -68.07 -25.24 65.24 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.277 -0.889 . . . . 0.0 112.684 173.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -80.93 -29.97 35.37 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.1 0.96 . . . . 0.0 112.211 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -59.28 -46.59 88.12 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.503 -0.748 . . . . 0.0 111.193 165.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.92 -27.73 69.02 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.475 0.71 . . . . 0.0 112.772 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.34 -51.37 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.756 170.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -54.39 47.11 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.36 0.982 . . . . 0.0 110.347 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -61.18 -41.42 96.76 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.386 1.074 . . . . 0.0 112.413 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.74 -36.03 30.25 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 124.014 0.816 . . . . 0.0 114.021 -174.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -79.47 -29.8 41.87 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.093 0.946 . . . . 0.0 111.63 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 58.2 m -65.66 -50.37 65.18 Favored 'General case' 0 C--O 1.227 -0.092 0 C-N-CA 123.37 0.668 . . . . 0.0 111.472 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 47.13 39.07 7.53 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.903 1.681 . . . . 0.0 114.779 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -126.93 165.32 19.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.255 1.022 . . . . 0.0 110.45 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.88 110.37 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 123.115 1.436 . . . . 0.0 111.144 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.92 148.74 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 113.978 -1.465 . . . . 0.0 110.824 -177.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -101.25 -59.91 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -139.25 155.05 48.03 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.682 0.793 . . . . 0.0 110.298 165.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 pp -147.06 165.79 28.84 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.689 0.757 . . . . 0.0 111.791 159.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -141.95 161.42 38.02 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.524 1.93 . . . . 0.0 110.402 168.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.7 tp -139.46 135.84 33.98 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 126.103 1.761 . . . . 0.0 106.257 158.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -143.36 115.35 8.32 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.543 1.137 . . . . 0.0 108.854 -167.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.79 113.63 12.29 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 167.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.12 151.64 8.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 114.085 -1.416 . . . . 0.0 111.981 -159.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-N 112.825 -1.988 . . . . 0.0 114.368 -172.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.6 m -58.4 155.88 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 O-C-N 124.395 1.059 . . . . 0.0 111.91 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -32.73 96.66 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 128.918 2.887 . . . . 0.0 114.578 176.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -74.7 -49.74 20.1 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.206 -0.934 . . . . 0.0 111.135 173.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -151.42 76.87 1.23 Allowed 'General case' 0 C--O 1.24 0.585 0 C-N-CA 124.66 1.184 . . . . 0.0 109.453 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 64.63 -32.01 0.13 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 129.098 2.959 . . . . 0.0 114.98 -165.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -61.8 87.91 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 126.97 2.108 . . . . 0.0 114.097 -172.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -154.52 -74.6 0.12 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.975 1.71 . . . . 0.0 109.113 160.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -149.35 -174.49 4.68 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 128.749 2.819 . . . . 0.0 109.308 -169.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -45.35 126.57 6.54 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.542 1.537 . . . . 0.0 113.086 -168.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.25 127.37 31.97 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.883 0.873 . . . . 0.0 109.27 168.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -126.62 129.01 71.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 125.331 1.453 . . . . 0.0 108.335 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 m -136.82 102.82 5.0 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -174.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.4 mtm -108.52 165.28 11.64 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.482 0.658 . . . . 0.0 112.574 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -145.72 118.98 8.91 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 127.003 2.121 . . . . 0.0 109.146 -176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -126.1 160.3 30.51 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.051 0.94 . . . . 0.0 109.893 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -102.6 128.0 49.46 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.54 0.736 . . . . 0.0 111.734 -171.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -75.21 163.37 27.59 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.427 1.091 . . . . 0.0 112.332 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -58.02 -25.07 60.67 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.517 1.127 . . . . 0.0 113.176 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.35 -9.85 37.3 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.68 14.63 69.94 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 124.89 1.234 . . . . 0.0 113.674 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -121.65 157.84 29.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 125.162 1.385 . . . . 0.0 111.072 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.0 150.75 24.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.504 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -128.62 146.97 50.71 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.901 1.68 . . . . 0.0 109.67 167.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -85.9 156.09 20.66 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.993 0.917 . . . . 0.0 113.01 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -132.07 77.34 1.75 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.442 2.297 . . . . 0.0 107.69 164.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -73.68 127.17 32.04 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.456 1.103 . . . . 0.0 110.634 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -144.72 94.5 2.56 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.719 1.608 . . . . 0.0 110.137 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -79.54 162.72 25.2 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.058 -0.401 . . . . 0.0 110.332 168.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.49 33.2 72.01 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-O 119.451 -0.638 . . . . 0.0 113.75 172.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.23 -176.16 3.14 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 122.175 0.988 . . . . 0.0 110.586 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.4 p -132.51 175.73 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 124.186 0.994 . . . . 0.0 110.498 165.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.13 -35.52 75.47 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.659 -0.651 . . . . 0.0 112.133 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.2 m -67.83 -35.41 78.55 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.811 -0.556 . . . . 0.0 112.138 174.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -74.96 -31.43 61.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.537 0.735 . . . . 0.0 111.788 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -59.12 -46.32 88.63 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.679 0.792 . . . . 0.0 111.624 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -56.96 -39.03 73.83 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.536 0.607 . . . . 0.0 112.18 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.45 -53.74 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 122.803 0.441 . . . . 0.0 110.492 172.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.06 -51.42 69.37 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.689 0.677 . . . . 0.0 112.161 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -60.47 -36.6 78.67 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.105 1.362 . . . . 0.0 112.361 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.14 -30.14 35.38 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.311 -0.716 . . . . 0.0 114.88 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -99.22 -26.3 14.23 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.708 1.254 . . . . 0.0 112.998 -169.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -71.44 -33.27 69.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.318 0.508 . . . . 0.0 111.562 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.23 -1.78 0.06 Allowed 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 118.832 2.901 . . . . 0.0 118.832 161.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.51 -178.22 6.98 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.71 87.51 0.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.134 0.974 . . . . 0.0 110.947 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.51 132.63 33.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.835 1.654 . . . . 0.0 111.23 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mm -119.22 -47.68 3.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 C-N-CA 126.839 2.055 . . . . 0.0 108.965 -171.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.525 ' NZ ' ' OD2' ' B' ' 53' ' ' ASP . 45.4 mttm -136.03 156.49 48.65 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 118.909 0.777 . . . . 0.0 110.989 167.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 pp -144.82 160.59 41.02 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.69 158.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.0 mtm-85 -138.85 151.03 46.65 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 126.566 1.946 . . . . 0.0 111.045 173.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 tt -137.06 140.75 42.24 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.682 1.593 . . . . 0.0 108.633 160.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -145.68 118.15 8.52 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.67 1.588 . . . . 0.0 108.374 -172.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 145.6 53.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.379 174.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.35 148.29 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 122.775 1.274 . . . . 0.0 112.957 -170.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.8 tp . . . . . 0 C--O 1.252 1.191 0 C-N-CA 127.893 2.477 . . . . 0.0 112.477 -175.639 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' B' ' 4' ' ' ASN . 8.5 p -65.54 140.43 19.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 122.201 1.001 . . . . 0.0 112.11 -172.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -74.35 37.08 0.1 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.842 2.057 . . . . 0.0 113.347 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' B' ' 2' ' ' VAL . 10.9 t-20 -144.97 10.1 1.32 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.993 2.117 . . . . 0.0 112.084 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -150.83 -44.66 0.12 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.315 1.446 . . . . 0.0 110.766 -170.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -69.18 -2.05 9.41 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.454 1.101 . . . . 0.0 113.231 166.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 92.7 t -109.84 105.93 19.74 Favored 'Isoleucine or valine' 0 C--N 1.341 0.196 0 C-N-CA 125.896 1.678 . . . . 0.0 110.581 -165.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -141.9 -68.3 0.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.939 1.296 . . . . 0.0 108.106 163.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -139.75 174.11 10.85 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.64 2.376 . . . . 0.0 108.553 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -45.84 150.72 0.51 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.212 1.805 . . . . 0.0 112.583 -167.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -104.58 138.98 40.11 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.525 1.93 . . . . 0.0 109.491 169.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -128.81 117.06 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 127.03 2.132 . . . . 0.0 108.616 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 27.6 m -111.35 130.0 55.82 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 29.7 ttm -139.05 149.6 44.8 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.396 0.617 . . . . 0.0 111.61 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -141.18 119.88 12.52 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.49 1.116 . . . . 0.0 109.73 -173.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.8 mt -127.5 165.69 19.39 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.226 1.41 . . . . 0.0 109.718 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -113.75 149.71 34.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 122.341 1.067 . . . . 0.0 112.51 -176.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.74 177.36 4.79 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.812 2.045 . . . . 0.0 111.541 -173.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.19 -30.96 69.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.465 1.106 . . . . 0.0 113.935 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -81.77 -8.7 59.72 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.959 0.799 . . . . 0.0 112.75 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.04 22.11 77.11 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.049 0.833 . . . . 0.0 114.064 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -98.09 -15.32 20.03 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.586 1.155 . . . . 0.0 113.472 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 76.76 157.37 0.18 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.928 2.491 . . . . 0.0 113.018 167.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -139.74 118.74 12.59 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 122.407 1.099 . . . . 0.0 110.563 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -93.18 140.73 29.2 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 127.964 2.505 . . . . 0.0 110.059 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -150.63 153.74 36.22 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 122.51 0.324 . . . . 0.0 110.755 165.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -120.19 150.85 39.99 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 122.709 1.243 . . . . 0.0 111.488 170.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -143.97 94.5 2.59 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.359 1.864 . . . . 0.0 107.706 -166.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.7 167.73 11.39 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.118 0.785 . . . . 0.0 113.118 -173.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.8 37.0 57.47 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 -175.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -138.81 -167.52 2.23 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.692 1.597 . . . . 0.0 109.964 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.3 p -135.06 178.93 6.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 74.0 mt -57.65 -37.78 73.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.218 1.007 . . . . 0.0 112.576 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 18.8 m -65.11 -30.29 71.22 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -82.34 -32.22 29.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.558 1.143 . . . . 0.0 111.683 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -57.35 -47.58 81.22 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.943 0.897 . . . . 0.0 111.6 164.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.12 -31.27 67.0 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.912 0.885 . . . . 0.0 112.688 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.19 -55.33 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.0 170.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.51 -43.44 97.08 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.325 0.966 . . . . 0.0 112.32 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -58.46 -46.42 86.61 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.506 0.722 . . . . 0.0 111.844 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.57 -27.1 70.08 Favored Glycine 0 CA--C 1.536 1.391 0 N-CA-C 114.632 0.613 . . . . 0.0 114.632 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -76.75 -23.69 53.0 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.553 1.541 . . . . 0.0 112.845 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 34.7 m -49.83 -65.19 0.61 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.677 1.591 . . . . 0.0 112.5 -170.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 45.09 29.05 0.45 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.39 1.876 . . . . 0.0 115.674 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -143.25 177.8 8.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.887 1.675 . . . . 0.0 110.461 -168.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.89 93.53 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.626 1.571 . . . . 0.0 111.631 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 tp -71.31 132.1 33.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 127.36 2.264 . . . . 0.0 111.741 170.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mm -124.89 -58.8 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.142 0 C-N-CA 126.302 1.841 . . . . 0.0 108.419 -176.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -137.45 154.47 49.92 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.102 0.953 . . . . 0.0 111.983 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.1 tt -150.39 136.61 18.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.448 1.899 . . . . 0.0 107.812 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -143.38 148.27 35.95 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.933 1.293 . . . . 0.0 110.201 173.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 tt -137.31 148.79 46.59 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.238 1.415 . . . . 0.0 109.296 167.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.525 ' OD2' ' NZ ' ' A' ' 49' ' ' LYS . 8.4 t0 -153.05 104.5 2.83 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.634 1.573 . . . . 0.0 108.052 -170.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.22 101.53 0.56 Allowed 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.178 -0.951 . . . . 0.0 108.893 169.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 32.8 m -55.02 144.48 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 114.473 -1.24 . . . . 0.0 112.95 -172.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.9 tp . . . . . 0 C--O 1.254 1.323 0 C-N-CA 129.905 3.282 . . . . 0.0 115.497 -177.344 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.7 p -58.28 134.97 22.96 Favored 'Isoleucine or valine' 0 C--N 1.337 0.049 0 CA-C-O 121.892 0.853 . . . . 0.0 111.026 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 47.88 48.59 17.68 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.358 1.463 . . . . 0.0 113.797 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -64.7 -64.19 0.93 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.779 157.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -149.71 88.98 1.58 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.983 0.913 . . . . 0.0 109.131 172.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.96 3.21 1.17 Allowed 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -170.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.0 t -69.72 140.23 19.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 126.051 1.74 . . . . 0.0 113.014 -172.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.91 178.93 0.12 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 130.078 3.351 . . . . 0.0 117.732 170.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.8 p 65.67 176.08 0.22 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 131.183 3.793 . . . . 0.0 115.243 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 54' ' ' LYS . 61.1 m-85 -70.77 140.92 51.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 120.846 -1.159 . . . . 0.0 108.906 152.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -139.51 124.89 19.1 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 126.166 1.787 . . . . 0.0 107.651 -168.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 t -128.97 132.32 67.46 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 124.993 1.317 . . . . 0.0 109.858 -165.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 m -116.2 122.74 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.333 1.453 . . . . 0.0 107.751 164.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.1 ttp -131.67 153.36 50.07 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 pp -152.27 151.42 30.9 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.418 1.104 . . . . 0.0 111.436 169.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -126.45 175.77 7.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.59 1.956 . . . . 0.0 109.697 -169.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -115.75 138.78 50.79 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.224 1.01 . . . . 0.0 111.183 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -80.86 161.15 24.55 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.348 1.859 . . . . 0.0 110.92 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.96 -31.22 62.79 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.528 1.531 . . . . 0.0 113.073 168.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' OD2' ' NZ ' ' A' ' 22' ' ' LYS . 30.1 t70 -74.51 -8.87 57.75 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 173.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.75 3.22 71.28 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.165 1.364 . . . . 0.0 114.447 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 62.9 mttp -83.05 160.17 22.0 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.39 1.076 . . . . 0.0 110.495 174.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -86.22 153.46 22.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.957 0.408 . . . . 0.0 111.215 170.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -138.35 148.82 44.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.485 0.66 . . . . 0.0 110.874 163.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -121.39 138.76 54.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.841 1.256 . . . . 0.0 111.418 -156.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -138.56 75.45 1.52 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.242 1.817 . . . . 0.0 108.91 -167.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -81.98 134.1 35.35 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.651 -0.656 . . . . 0.0 109.881 166.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -146.91 120.17 8.93 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 125.792 1.637 . . . . 0.0 109.575 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -121.03 162.62 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.787 1.235 . . . . 0.0 109.851 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.49 32.07 8.43 Favored Glycine 0 N--CA 1.464 0.547 0 O-C-N 123.437 0.461 . . . . 0.0 112.33 164.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 pp -137.35 -174.71 3.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.784 1.234 . . . . 0.0 111.258 -168.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 p -138.47 -175.58 4.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.437 167.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.13 -33.85 72.72 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.7 m -66.77 -25.53 66.53 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 176.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.25 -31.35 27.03 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.913 0.885 . . . . 0.0 111.819 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -62.8 -40.65 98.0 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.346 -0.846 . . . . 0.0 111.488 168.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.09 -29.69 68.74 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.437 0.695 . . . . 0.0 112.608 175.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -73.47 -48.56 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.412 0.685 . . . . 0.0 110.641 170.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.1 tp -53.21 -52.66 58.19 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.953 0.797 . . . . 0.0 111.249 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.28 -59.01 5.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.338 1.055 . . . . 0.0 111.017 171.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.87 -18.95 55.16 Favored Glycine 0 C--N 1.343 0.956 0 C-N-CA 124.972 1.272 . . . . 0.0 115.473 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -113.16 -15.81 12.69 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.88 -11.49 2.99 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -164.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.08 72.71 0.61 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.526 1.057 . . . . 0.0 112.229 177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -122.4 99.96 6.69 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.532 1.533 . . . . 0.0 110.414 -170.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 56.17 64.55 1.68 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.628 1.571 . . . . 0.0 110.975 -161.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 tp -67.0 135.04 29.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 C-N-CA 124.659 1.183 . . . . 0.0 111.922 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.6 mm -118.65 -54.54 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 126.938 2.095 . . . . 0.0 109.129 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -135.71 150.56 49.59 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.878 0.871 . . . . 0.0 111.521 174.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tp -147.97 131.7 16.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.065 2.146 . . . . 0.0 108.018 173.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -143.61 111.05 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.552 1.941 . . . . 0.0 107.037 -175.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 tt -125.14 141.47 52.09 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.079 0.951 . . . . 0.0 109.691 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -137.28 140.16 41.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.051 1.34 . . . . 0.0 107.754 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 2.4 tmtt? -67.7 104.84 1.74 Allowed 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 143.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.15 159.82 5.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 123.82 1.772 . . . . 0.0 108.677 166.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.5 tp . . . . . 0 C--O 1.256 1.433 0 CA-C-N 112.389 -2.187 . . . . 0.0 112.105 -162.462 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.474 0.725 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.3 m -65.79 155.65 6.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 122.257 1.027 . . . . 0.0 111.875 175.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -76.03 79.25 2.89 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.02 172.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -61.78 -69.2 0.26 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.956 1.302 . . . . 0.0 111.967 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -135.43 79.47 1.78 Allowed 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 57.87 -28.24 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 129.284 3.034 . . . . 0.0 117.224 -166.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.252 0.8 OUTLIER 53.53 158.0 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 130.767 3.627 . . . . 0.0 116.917 174.606 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 87.9 -80.38 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 130.881 3.672 . . . . 0.0 112.275 177.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.7 m -153.19 174.54 14.13 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.066 1.346 . . . . 0.0 109.161 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -42.6 139.22 1.62 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.271 1.828 . . . . 0.0 114.145 -162.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -97.26 114.59 26.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 126.55 1.94 . . . . 0.0 109.86 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -107.8 142.43 20.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 C-N-CA 125.003 1.321 . . . . 0.0 109.813 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.2 m -138.59 109.99 6.97 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.361 1.464 . . . . 0.0 107.536 174.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 37.1 ttp -131.31 156.76 44.91 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.723 0.409 . . . . 0.0 110.939 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.46 161.14 42.56 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 123.71 1.719 . . . . 0.0 112.005 165.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.61 178.71 8.82 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 127.786 2.434 . . . . 0.0 107.544 169.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -88.8 127.66 35.62 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.85 -0.531 . . . . 0.0 112.168 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.77 -179.32 8.08 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.26 -48.39 0.49 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 130.316 3.446 . . . . 0.0 115.289 166.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -138.44 14.17 2.77 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.655 1.582 . . . . 0.0 112.271 -172.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.92 26.7 70.47 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.515 0.579 . . . . 0.0 112.262 -172.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -131.61 167.23 19.78 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 125.489 1.516 . . . . 0.0 110.07 -173.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -67.75 143.29 55.95 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.985 0.898 . . . . 0.0 111.968 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -141.43 112.74 7.48 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 113.987 -1.46 . . . . 0.0 108.758 -162.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -100.76 155.38 17.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 123.265 1.507 . . . . 0.0 114.056 -157.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -142.78 72.52 1.37 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.994 2.518 . . . . 0.0 107.774 -171.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -78.94 120.08 23.03 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.582 1.153 . . . . 0.0 109.472 169.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -147.03 95.01 2.5 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.986 0.914 . . . . 0.0 111.065 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 168.47 10.23 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 168.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.36 30.1 42.4 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-O 119.914 -0.381 . . . . 0.0 112.753 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -132.6 -172.33 2.88 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.443 1.097 . . . . 0.0 110.39 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.9 p -132.14 -176.89 4.22 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.042 -1.036 . . . . 0.0 112.098 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.401 ' H ' HD22 ' B' ' 33' ' ' LEU . 2.8 mm? -70.0 -33.74 72.41 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 120.563 -1.335 . . . . 0.0 112.757 -167.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 78.3 p -68.46 -26.79 65.68 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 170.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -78.53 -34.24 47.34 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.814 0.846 . . . . 0.0 111.231 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -60.91 -43.69 98.19 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.448 0.699 . . . . 0.0 111.371 168.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -57.88 -36.72 72.76 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 173.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.22 -48.51 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 122.729 0.412 . . . . 0.0 110.537 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 67.6 tp -57.31 -50.71 72.05 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.724 0.81 . . . . 0.0 112.075 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.4 -47.54 85.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.177 0.991 . . . . 0.0 111.472 174.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.38 -26.53 74.47 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-O 119.299 -0.723 . . . . 0.0 114.766 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -77.33 -17.73 58.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.333 1.053 . . . . 0.0 113.124 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 51.9 m -57.0 -50.18 73.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.596 1.558 . . . . 0.0 112.944 -171.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.17 26.41 2.87 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.01 1.724 . . . . 0.0 115.191 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -133.68 173.41 11.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.019 1.727 . . . . 0.0 110.202 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -70.73 113.81 8.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.693 0.759 . . . . 0.0 110.58 168.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.15 138.03 18.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.755 167.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.0 mm -113.88 -48.65 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 124.623 1.169 . . . . 0.0 108.755 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -151.15 138.37 19.3 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.188 0.449 . . . . 0.0 111.286 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -141.84 155.53 45.56 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 122.823 1.297 . . . . 0.0 112.28 165.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.9 ttp-105 -138.84 148.27 43.51 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.647 1.979 . . . . 0.0 109.11 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 tt -145.36 139.44 26.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.594 1.557 . . . . 0.0 109.173 172.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.57 139.25 42.03 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 126.035 1.734 . . . . 0.0 109.28 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.69 155.74 25.55 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.502 1.144 . . . . 0.0 111.564 154.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.3 m -118.09 165.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 113.282 -1.781 . . . . 0.0 110.207 -177.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 C--O 1.248 0.976 0 CA-C-O 116.094 -1.907 . . . . 0.0 111.849 175.031 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 tpt . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 118.883 -0.579 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.9 m -132.21 168.05 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 126.383 1.873 . . . . 0.0 108.054 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -75.88 47.53 0.43 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.085 1.754 . . . . 0.0 113.713 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -65.91 -23.29 66.6 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.961 1.304 . . . . 0.0 113.523 -175.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.453 ' C ' ' H ' ' A' ' 7' ' ' VAL . 4.9 t0 -143.79 -169.82 3.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.257 2.223 . . . . 0.0 107.183 169.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.85 40.55 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.42 1.888 . . . . 0.0 112.024 162.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.453 ' H ' ' C ' ' A' ' 5' ' ' ASP . 10.4 p -62.34 173.01 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 C-N-CA 130.535 3.534 . . . . 0.0 111.27 -173.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -78.13 165.81 23.51 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 119.835 -1.79 . . . . 0.0 112.213 170.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t 96.54 175.44 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 129.05 2.94 . . . . 0.0 108.799 -154.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -46.0 125.1 6.01 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.426 1.89 . . . . 0.0 114.196 -154.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -94.07 117.18 29.73 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.427 2.291 . . . . 0.0 107.144 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.3 t -133.29 94.62 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 127.933 2.493 . . . . 0.0 109.28 -167.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.1 m -85.39 141.39 30.03 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.596 0.758 . . . . 0.0 109.23 170.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.5 ttm -143.43 152.29 41.37 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 123.481 0.712 . . . . 0.0 110.744 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -144.2 122.53 12.32 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 126.753 2.021 . . . . 0.0 109.551 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mp -122.59 166.15 15.31 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.861 1.265 . . . . 0.0 109.533 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -108.89 129.41 55.41 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.356 0.598 . . . . 0.0 111.958 -175.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -71.21 160.48 32.76 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.961 1.304 . . . . 0.0 111.617 172.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -60.59 -25.85 66.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.053 0.941 . . . . 0.0 113.329 173.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -74.23 -2.38 24.62 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.322 1.049 . . . . 0.0 112.547 171.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.27 8.78 77.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 120.724 -1.235 . . . . 0.0 114.658 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -103.99 159.36 15.73 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.485 1.514 . . . . 0.0 111.514 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -75.71 151.62 37.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 111.7 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -131.65 143.42 50.29 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 122.117 0.961 . . . . 0.0 110.166 156.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -107.89 137.56 45.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 127.147 2.179 . . . . 0.0 110.582 -162.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -145.02 71.68 1.31 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.959 1.304 . . . . 0.0 108.891 -162.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -92.71 135.62 33.95 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.952 1.301 . . . . 0.0 112.274 -173.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -135.7 146.48 47.78 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 126.013 1.725 . . . . 0.0 109.808 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -140.6 153.83 46.23 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.062 0.945 . . . . 0.0 109.151 171.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.62 22.17 56.58 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 119.58 -0.567 . . . . 0.0 113.216 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.83 -175.64 5.68 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.148 0.975 . . . . 0.0 111.258 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 p -133.37 179.81 5.98 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.313 -0.867 . . . . 0.0 110.279 153.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.19 -31.88 73.14 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.185 -0.947 . . . . 0.0 112.314 -173.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.6 m -66.31 -33.74 76.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.27 1.028 . . . . 0.0 112.218 173.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -78.52 -32.7 48.16 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.081 0.952 . . . . 0.0 110.881 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -62.4 -44.33 96.69 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.168 0.987 . . . . 0.0 112.006 167.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -54.94 -44.97 74.78 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.037 0.835 . . . . 0.0 111.711 171.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.05 -53.45 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.34 173.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.7 tp -55.77 -52.58 63.48 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.386 0.994 . . . . 0.0 112.928 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.9 -34.48 78.06 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.352 1.061 . . . . 0.0 112.448 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.27 -23.09 52.75 Favored Glycine 0 CA--C 1.535 1.33 0 CA-C-O 119.201 -0.777 . . . . 0.0 114.657 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -87.55 -36.73 17.41 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.196 1.398 . . . . 0.0 111.34 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.5 p -73.0 -74.19 0.18 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.736 0.814 . . . . 0.0 111.383 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.33 -1.13 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 129.406 3.082 . . . . 0.0 117.335 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -81.82 68.72 8.3 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.86 2.464 . . . . 0.0 112.42 -166.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 61.9 60.5 1.54 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.789 1.236 . . . . 0.0 110.586 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.64 121.12 10.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 125.958 1.703 . . . . 0.0 110.962 175.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 mm -96.73 -69.88 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 105.591 -2.004 . . . . 0.0 105.591 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -135.23 158.03 45.41 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 pp -141.35 156.57 45.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.405 167.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.35 103.6 4.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.282 1.433 . . . . 0.0 108.755 -177.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 tt -109.9 136.42 49.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.799 1.64 . . . . 0.0 110.348 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.54 138.97 46.33 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 126.626 1.97 . . . . 0.0 109.4 171.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 149.38 49.95 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.686 155.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.3 t -115.1 152.95 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.1 tp . . . . . 0 C--O 1.249 1.044 0 C-N-CA 129.913 3.285 . . . . 0.0 112.427 -178.728 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.77 -19.44 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 124.064 0.853 . . . . 0.0 111.919 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -55.12 123.45 13.7 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 126.235 1.814 . . . . 0.0 111.21 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -61.98 -50.07 73.55 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.31 1.444 . . . . 0.0 113.573 -168.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -137.05 -46.35 0.58 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.825 1.25 . . . . 0.0 112.949 -170.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.54 ' CZ ' ' HE2' ' B' ' 29' ' ' LYS . 56.6 m-85 -72.58 66.84 0.73 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 122.318 1.056 . . . . 0.0 109.597 163.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -77.54 68.59 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 125.885 1.674 . . . . 0.0 111.703 -169.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 42.21 -130.63 0.56 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.396 1.079 . . . . 0.0 108.988 -161.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m 69.95 -165.24 0.17 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.611 1.165 . . . . 0.0 111.325 168.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -94.89 146.16 24.41 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.577 1.151 . . . . 0.0 109.512 156.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -93.87 138.38 32.08 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.125 1.77 . . . . 0.0 108.081 157.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.9 112.48 31.96 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 126.302 1.841 . . . . 0.0 108.19 171.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 21.5 m -121.63 95.18 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.473 1.509 . . . . 0.0 107.546 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 38.9 ttp -122.19 156.87 32.83 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.552 1.141 . . . . 0.0 111.557 -166.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 tt -149.2 127.37 12.06 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.995 0.918 . . . . 0.0 111.461 -170.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -122.81 175.64 6.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.926 2.09 . . . . 0.0 110.937 -172.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -133.45 117.71 17.52 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 123.419 0.688 . . . . 0.0 110.169 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -71.65 168.46 17.65 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.416 0.686 . . . . 0.0 112.202 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.04 -26.98 68.57 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.881 1.672 . . . . 0.0 113.497 -172.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -80.36 -0.0 34.98 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.138 1.375 . . . . 0.0 113.398 171.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.8 2.38 72.24 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.762 1.649 . . . . 0.0 113.957 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.56 125.67 33.95 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.572 1.686 . . . . 0.0 110.987 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -71.41 142.17 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.076 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -147.99 162.56 39.09 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.692 0.797 . . . . 0.0 109.977 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.4 159.13 35.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 122.374 1.083 . . . . 0.0 113.637 -171.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -136.47 89.89 2.51 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 128.812 2.845 . . . . 0.0 107.189 -166.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -106.76 104.46 14.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.919 2.088 . . . . 0.0 109.232 -168.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -136.34 85.5 2.15 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 125.566 1.546 . . . . 0.0 111.802 -162.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.54 ' HE2' ' CZ ' ' B' ' 6' ' ' PHE . 94.1 mttt -69.22 165.12 21.18 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.009 0.924 . . . . 0.0 110.667 163.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.92 17.7 80.19 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.059 -0.856 . . . . 0.0 114.34 171.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -100.36 178.99 4.59 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.576 1.15 . . . . 0.0 111.973 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.5 p -136.46 177.62 7.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.844 1.258 . . . . 0.0 111.288 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.73 -31.76 71.05 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.889 0.876 . . . . 0.0 113.286 -174.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.2 p -77.88 -30.95 51.04 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.819 1.247 . . . . 0.0 112.421 174.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -73.45 -32.2 64.23 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.265 -0.897 . . . . 0.0 111.442 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -59.44 -44.09 92.99 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.526 0.73 . . . . 0.0 111.984 169.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -58.98 -36.26 74.58 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.145 0.978 . . . . 0.0 111.783 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -63.28 -52.78 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.278 0.631 . . . . 0.0 110.437 172.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.16 -53.19 61.06 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.824 0.85 . . . . 0.0 112.142 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -66.33 -33.98 76.94 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.694 0.798 . . . . 0.0 112.398 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.8 -26.36 56.33 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.628 -1.095 . . . . 0.0 114.463 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -87.65 -32.16 19.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.306 1.553 . . . . 0.0 111.705 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.1 p -72.67 131.91 43.01 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.914 -0.492 . . . . 0.0 111.284 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.81 -5.33 11.55 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.496 1.119 . . . . 0.0 113.23 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -76.64 44.06 0.35 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.428 2.291 . . . . 0.0 112.495 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 47.98 -126.46 1.82 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 127.435 2.294 . . . . 0.0 111.83 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.8 tp -168.83 135.07 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.362 1.865 . . . . 0.0 109.398 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.6 mm -123.76 -55.68 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 125.169 1.388 . . . . 0.0 108.799 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -133.39 151.55 51.84 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.566 1.146 . . . . 0.0 111.191 173.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 tp -151.51 122.68 7.71 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 125.109 1.364 . . . . 0.0 109.373 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -111.58 135.36 52.26 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 124.052 0.941 . . . . 0.0 108.761 158.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -128.26 133.14 48.74 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 162.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -152.18 109.49 3.57 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.999 0.52 . . . . 0.0 110.852 -162.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -69.24 104.78 2.31 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.765 0.793 . . . . 0.0 109.795 174.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -65.48 152.73 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 126.479 1.912 . . . . 0.0 109.893 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--O 1.249 1.051 0 C-N-CA 129.327 3.051 . . . . 0.0 110.971 -167.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 tpt . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 m -131.04 175.12 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 126.084 1.753 . . . . 0.0 108.979 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.07 53.19 0.07 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.874 2.07 . . . . 0.0 113.334 173.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.72 -34.15 77.24 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.652 1.181 . . . . 0.0 111.301 167.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -129.6 -158.34 0.88 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.459 1.903 . . . . 0.0 108.564 170.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -65.44 -0.2 1.81 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -174.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER 54.6 166.61 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.596 1 C-N-CA 131.779 4.032 . . . . 0.0 116.334 179.473 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.1 t70 75.21 -79.2 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 127.749 2.42 . . . . 0.0 113.537 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -152.53 175.77 12.4 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.449 1.5 . . . . 0.0 111.029 -165.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -44.18 132.89 5.53 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.143 1.777 . . . . 0.0 114.084 -169.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -82.77 140.11 33.19 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.556 1.142 . . . . 0.0 108.819 160.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -135.28 89.43 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 125.772 1.629 . . . . 0.0 107.706 167.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.4 m -85.31 96.77 9.63 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 173.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.2 ttm -98.23 164.13 12.44 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.972 0.909 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -149.4 125.87 10.92 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.591 1.556 . . . . 0.0 109.503 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.9 mt -130.91 177.45 7.42 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 125.225 1.41 . . . . 0.0 110.624 -173.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -130.73 133.88 46.42 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.714 0.805 . . . . 0.0 110.896 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.68 162.55 27.63 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.129 1.372 . . . . 0.0 111.77 174.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.76 -31.24 66.31 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.917 1.287 . . . . 0.0 113.429 175.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -70.99 -10.55 59.93 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.574 0.749 . . . . 0.0 112.78 173.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.03 0.38 66.02 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 125.413 1.482 . . . . 0.0 113.426 -176.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -70.95 115.82 10.53 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.941 1.296 . . . . 0.0 110.43 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -80.13 137.58 36.75 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 122.962 0.505 . . . . 0.0 110.663 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -143.05 146.88 34.23 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.765 0.793 . . . . 0.0 111.93 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -83.57 151.03 25.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.904 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -137.05 79.46 1.75 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.04 2.536 . . . . 0.0 107.82 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -73.4 120.64 19.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.35 1.06 . . . . 0.0 110.406 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -140.0 91.97 2.51 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 123.872 0.869 . . . . 0.0 110.358 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -112.66 171.05 7.76 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.613 1.165 . . . . 0.0 112.869 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.37 38.34 94.86 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.943 0.782 . . . . 0.0 112.423 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -138.35 -161.08 1.13 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.682 1.193 . . . . 0.0 110.809 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -137.81 178.63 6.97 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 120.72 -1.238 . . . . 0.0 113.906 -173.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -36.0 81.7 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.385 -0.822 . . . . 0.0 112.638 -176.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.6 m -64.54 -29.16 70.19 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.424 -0.798 . . . . 0.0 112.292 172.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -81.6 -33.92 31.26 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.508 1.123 . . . . 0.0 111.43 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -57.12 -47.36 81.29 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.197 0.999 . . . . 0.0 111.567 165.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.17 -33.63 69.44 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.755 0.822 . . . . 0.0 112.722 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.49 -54.67 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.603 0.638 . . . . 0.0 110.642 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.6 tp -54.87 -50.93 67.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.957 0.799 . . . . 0.0 111.761 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.76 -51.13 70.67 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.548 1.139 . . . . 0.0 112.007 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.25 -20.48 76.69 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 119.158 -0.801 . . . . 0.0 114.551 -175.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -113.5 -21.9 10.6 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.39 1.095 . . . . 0.0 113.917 -170.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 m -128.24 -26.95 2.75 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -165.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.4 55.68 1.02 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -65.81 -41.46 91.86 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.508 1.123 . . . . 0.0 112.787 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -131.08 80.26 1.93 Allowed 'General case' 0 C--O 1.232 0.135 0 C-N-CA 126.226 1.81 . . . . 0.0 108.544 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.6 tp -71.36 118.86 16.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.836 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.3 mm -106.86 -50.26 8.02 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 C-N-CA 126.947 2.099 . . . . 0.0 107.912 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -152.53 154.41 35.38 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.249 0.477 . . . . 0.0 110.982 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.41 148.3 34.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.322 0.582 . . . . 0.0 111.168 155.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.97 92.99 3.21 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 126.562 1.945 . . . . 0.0 107.729 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.3 tt -93.05 137.44 32.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.282 1.033 . . . . 0.0 109.623 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -145.36 134.29 22.51 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.951 1.3 . . . . 0.0 109.503 174.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 144.02 14.56 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.104 0.478 . . . . 0.0 111.288 162.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t -142.02 154.12 18.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 171.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.3 tp . . . . . 0 C--O 1.25 1.13 0 C-N-CA 128.383 2.673 . . . . 0.0 109.807 171.867 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 86.2 t 53.5 -67.0 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 128.919 2.888 . . . . 0.0 114.024 -174.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -134.07 89.51 2.58 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.352 1.861 . . . . 0.0 107.755 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 55.9 t30 49.24 -94.77 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.589 1.956 . . . . 0.0 113.137 -173.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -106.77 3.56 26.66 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 128.548 2.739 . . . . 0.0 112.826 -175.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.486 ' CE2' ' HE3' ' B' ' 29' ' ' LYS . 8.4 t80 50.62 55.86 8.86 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.997 2.119 . . . . 0.0 111.614 -175.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -39.65 147.47 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 130.505 3.522 . . . . 0.0 116.524 -164.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -72.49 166.95 21.62 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t 76.88 165.77 0.25 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 128.98 2.912 . . . . 0.0 112.23 -163.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -49.52 142.3 8.21 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 126.007 1.723 . . . . 0.0 114.108 -158.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -99.64 120.47 39.73 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.474 1.51 . . . . 0.0 108.858 170.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.9 t -108.5 114.88 47.86 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 125.296 1.438 . . . . 0.0 108.052 164.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 97.4 m -114.49 93.21 4.24 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp -108.98 161.48 15.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.213 1.005 . . . . 0.0 110.929 -174.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tt -150.35 124.0 9.14 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.046 0.939 . . . . 0.0 109.872 -173.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -117.33 166.3 12.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.444 1.098 . . . . 0.0 110.855 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -113.57 120.25 40.29 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.507 1.123 . . . . 0.0 109.971 162.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.85 162.49 23.97 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.453 1.501 . . . . 0.0 112.803 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.12 -23.35 65.45 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.097 1.359 . . . . 0.0 113.92 170.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -76.14 -2.73 32.46 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.369 0.986 . . . . 0.0 113.153 167.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.49 8.05 71.35 Favored Glycine 0 C--N 1.341 0.858 0 C-N-CA 124.919 1.247 . . . . 0.0 114.626 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -106.28 148.28 28.17 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 118.146 0.973 . . . . 0.0 112.436 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -90.4 136.55 32.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.908 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -140.13 143.06 36.01 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 122.096 0.95 . . . . 0.0 112.036 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -81.24 148.8 29.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.041 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -133.23 74.85 1.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.72 2.408 . . . . 0.0 107.49 170.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -77.87 125.19 28.97 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.255 1.422 . . . . 0.0 110.268 169.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -146.53 101.07 3.43 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 127.281 2.232 . . . . 0.0 110.405 -178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.486 ' HE3' ' CE2' ' B' ' 6' ' ' PHE . 51.5 tttm -107.67 153.5 22.83 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.692 0.797 . . . . 0.0 111.194 175.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.1 48.32 8.45 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 123.724 0.678 . . . . 0.0 112.702 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 pp -132.5 -165.87 1.66 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.717 1.207 . . . . 0.0 110.661 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.3 p -141.26 -178.28 5.52 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.465 -0.772 . . . . 0.0 111.465 172.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.78 -32.44 73.73 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -163.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 37.1 p -64.39 -29.6 70.66 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 170.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.25 -31.53 33.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.207 1.003 . . . . 0.0 111.279 175.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.53 -45.06 95.22 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.323 -0.86 . . . . 0.0 110.969 165.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -61.85 -29.03 69.91 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.77 -57.95 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 118.715 0.689 . . . . 0.0 109.833 165.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 19.9 tp -53.83 -48.38 69.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.023 0.929 . . . . 0.0 112.647 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -60.58 -31.91 71.04 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.111 1.365 . . . . 0.0 113.19 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.83 -24.91 16.17 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 118.628 0.649 . . . . 0.0 114.262 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -91.53 -31.9 15.76 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.53 1.132 . . . . 0.0 112.208 -172.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.0 p -64.24 -42.63 96.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.81 -9.21 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 128.512 2.725 . . . . 0.0 117.32 171.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.14 166.03 23.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.384 1.087 . . . . 0.0 112.233 166.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.36 120.48 16.08 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.289 1.036 . . . . 0.0 111.894 -171.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.82 129.61 27.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 124.534 1.134 . . . . 0.0 111.085 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mm -115.11 -56.85 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 127.406 2.282 . . . . 0.0 107.451 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -136.23 155.95 49.37 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.444 0.698 . . . . 0.0 111.48 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.9 tp -150.58 110.31 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.855 1.262 . . . . 0.0 108.786 172.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.72 111.5 23.72 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 124.553 1.141 . . . . 0.0 109.006 173.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 tt -109.26 139.63 43.93 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 169.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -148.78 119.81 7.69 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 123.944 0.898 . . . . 0.0 109.21 -174.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 125.75 27.07 Favored 'General case' 0 C--N 1.345 0.404 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 162.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 31.2 m -86.72 156.83 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.499 -155.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--O 1.249 1.039 0 C-N-CA 127.12 2.168 . . . . 0.0 111.905 170.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.474 0.739 0 CA-C-O 118.652 -0.689 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.47 -38.49 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 123.726 0.81 . . . . 0.0 112.149 -169.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -65.99 110.56 2.96 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 122.281 1.038 . . . . 0.0 111.283 172.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -70.33 151.85 44.8 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.821 168.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -79.73 33.24 0.26 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.419 1.888 . . . . 0.0 112.21 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 50.4 35.16 10.36 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.058 1.743 . . . . 0.0 112.826 -164.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -66.21 91.68 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 125.495 1.518 . . . . 0.0 113.604 -162.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -159.14 -80.25 0.06 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.257 1.423 . . . . 0.0 108.909 171.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 t -146.75 176.96 9.47 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.1 1.76 . . . . 0.0 109.323 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -47.42 147.57 1.63 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.617 1.567 . . . . 0.0 114.263 -161.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.72 117.49 30.4 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 127.474 2.31 . . . . 0.0 109.286 -176.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.93 96.08 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.729 1.211 . . . . 0.0 110.563 -174.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -91.06 110.6 21.87 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.302 1.441 . . . . 0.0 109.431 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 tpt -121.57 147.18 46.16 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.358 1.463 . . . . 0.0 110.556 -163.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 tp -144.16 118.94 9.86 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 124.839 1.256 . . . . 0.0 111.488 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.34 171.13 7.7 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.487 172.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -123.71 126.85 47.27 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.512 1.125 . . . . 0.0 110.708 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -76.46 168.35 20.22 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.967 1.307 . . . . 0.0 110.512 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.72 -36.39 74.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.743 2.017 . . . . 0.0 113.348 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -81.32 -2.44 49.12 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.435 -0.791 . . . . 0.0 112.986 175.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.23 3.42 56.66 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 125.372 1.463 . . . . 0.0 113.894 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -70.47 117.41 11.97 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 118.643 1.221 . . . . 0.0 111.101 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -85.88 125.6 33.44 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 123.089 0.556 . . . . 0.0 110.47 176.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -127.06 113.64 16.71 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.854 0.835 . . . . 0.0 112.38 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -74.05 147.33 42.96 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.341 172.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -146.9 149.44 33.25 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.446 1.498 . . . . 0.0 110.35 164.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -118.56 108.99 15.65 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 124.681 1.192 . . . . 0.0 108.223 -170.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -114.46 81.51 1.56 Allowed 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 123.598 0.759 . . . . 0.0 108.997 -170.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -109.63 168.77 9.16 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.323 0.649 . . . . 0.0 112.746 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.28 37.98 63.01 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 123.703 0.668 . . . . 0.0 112.386 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 pp -135.55 -170.56 2.63 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.711 1.205 . . . . 0.0 110.233 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -133.3 -179.82 5.74 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 120.644 -1.285 . . . . 0.0 112.711 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.55 -32.39 71.45 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -172.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.5 m -69.14 -27.25 65.39 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -84.46 -30.67 25.06 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.681 1.192 . . . . 0.0 111.576 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -61.32 -42.29 98.42 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.523 -0.736 . . . . 0.0 111.451 165.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -60.95 -24.3 65.96 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.89 -49.27 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 118.638 0.654 . . . . 0.0 110.736 168.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.9 tp -56.15 -50.92 69.77 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.015 0.825 . . . . 0.0 111.463 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -64.62 -33.84 76.88 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.51 -23.02 55.16 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 115.049 0.78 . . . . 0.0 115.049 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -114.81 -31.56 6.09 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.511 1.155 . . . . 0.0 113.048 -172.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.1 m -127.22 -5.62 6.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.503 0.721 . . . . 0.0 112.382 -154.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.45 25.48 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.97 2.108 . . . . 0.0 115.096 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -62.96 99.77 0.18 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.166 2.186 . . . . 0.0 111.186 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 51.67 59.93 4.22 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.813 1.645 . . . . 0.0 113.267 -170.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.86 132.68 28.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.618 175.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.9 mm -115.81 -48.94 4.64 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 C-N-CA 127.063 2.145 . . . . 0.0 109.71 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HZ2' ' CG ' ' B' ' 53' ' ' ASP . 57.4 mttm -138.38 146.3 42.08 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.644 0.656 . . . . 0.0 110.722 172.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tt -151.25 103.06 2.98 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.186 1.394 . . . . 0.0 107.827 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -98.04 126.35 43.42 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.302 1.041 . . . . 0.0 108.905 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -124.85 133.44 53.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 170.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.43 134.77 46.55 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 125.086 1.355 . . . . 0.0 108.367 176.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 136.36 54.95 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.633 153.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.1 m -89.09 139.5 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.043 -170.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 tp . . . . . 0 C--O 1.252 1.217 0 C-N-CA 127.548 2.339 . . . . 0.0 112.92 -167.668 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.481 ' H1 ' ' C ' ' B' ' 56' ' ' LEU . 13.3 tpt . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 p -88.4 93.64 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 122.362 1.077 . . . . 0.0 109.251 170.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -75.67 28.8 0.11 Allowed 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -161.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -135.95 -3.74 2.24 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 126.751 2.02 . . . . 0.0 113.393 172.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -140.24 -36.91 0.48 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.549 0.739 . . . . 0.0 111.877 -178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -135.71 72.33 1.44 Allowed 'General case' 0 C--O 1.236 0.361 0 C-N-CA 125.499 1.52 . . . . 0.0 108.868 168.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -76.54 149.33 6.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.746 169.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.35 140.84 43.97 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 122.392 1.091 . . . . 0.0 111.127 173.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.6 m 141.79 -177.46 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.473 2.709 . . . . 0.0 108.738 -147.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -93.2 161.79 14.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.759 1.266 . . . . 0.0 110.829 156.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -108.62 142.1 39.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 127.186 2.194 . . . . 0.0 107.446 163.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -131.4 91.82 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 124.889 1.276 . . . . 0.0 108.167 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 6.8 m -80.33 141.33 35.54 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 164.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 43.8 ttm -149.51 155.1 39.81 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.795 0.725 . . . . 0.0 111.698 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -145.61 119.82 9.53 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.908 0.883 . . . . 0.0 110.439 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -117.69 175.98 5.39 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 125.848 1.659 . . . . 0.0 110.86 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -127.48 131.42 50.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.618 0.767 . . . . 0.0 110.565 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -75.96 162.35 28.16 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.563 1.145 . . . . 0.0 111.629 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -61.2 -22.6 64.91 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.04 -7.28 54.31 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.919 0.782 . . . . 0.0 112.645 171.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.39 5.02 65.69 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.706 1.145 . . . . 0.0 114.041 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -95.13 145.59 24.9 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 118.108 0.954 . . . . 0.0 111.005 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -99.73 140.49 33.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.492 -171.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -138.77 154.51 48.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 122.227 1.013 . . . . 0.0 111.244 -178.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -120.96 145.85 47.29 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.161 -163.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -137.72 155.9 48.59 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.244 1.418 . . . . 0.0 110.529 174.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -141.76 138.56 32.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.131 0.972 . . . . 0.0 109.654 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -143.82 83.44 1.75 Allowed 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 124.417 1.087 . . . . 0.0 109.64 -171.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.62 163.26 24.74 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.566 0.747 . . . . 0.0 110.725 172.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.0 29.99 52.64 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-O 119.615 -0.547 . . . . 0.0 113.744 163.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.57 -168.94 2.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.516 1.126 . . . . 0.0 111.046 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 17.7 p -131.54 178.77 6.48 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.284 -0.885 . . . . 0.0 113.341 -167.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt -58.0 -39.34 78.01 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.45 0.7 . . . . 0.0 112.744 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -68.22 -19.29 64.74 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.52 -32.55 15.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.681 1.192 . . . . 0.0 111.611 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -57.28 -44.55 84.11 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.26 0.624 . . . . 0.0 111.252 164.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.19 -25.62 67.16 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.112 0.965 . . . . 0.0 113.351 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.19 -57.21 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.812 169.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.09 -48.87 80.04 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.035 0.834 . . . . 0.0 111.974 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -63.85 -38.62 91.78 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.01 -19.03 75.79 Favored Glycine 0 C--N 1.34 0.762 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 -177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -121.3 -28.51 4.66 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 5.1 m -129.48 -8.54 4.65 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.809 0.443 . . . . 0.0 111.66 -155.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.74 62.0 0.17 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.254 1.422 . . . . 0.0 113.625 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.85 86.51 7.36 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.214 2.206 . . . . 0.0 110.912 -168.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 55.43 75.26 0.33 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.608 1.563 . . . . 0.0 110.826 -164.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.83 129.29 35.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.144 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 40.9 mm -113.49 -43.74 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 128.421 2.688 . . . . 0.0 109.316 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -140.97 154.31 45.99 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.956 0.902 . . . . 0.0 110.851 168.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 pp -145.85 159.02 43.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.97 0.89 . . . . 0.0 110.758 152.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -140.51 107.85 5.53 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.726 1.211 . . . . 0.0 109.033 173.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 24.2 tp -96.44 121.52 38.34 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 124.827 1.251 . . . . 0.0 108.068 169.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.401 ' CG ' ' HZ2' ' A' ' 49' ' ' LYS . 6.0 t70 -144.18 110.72 5.58 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -166.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -62.67 114.42 3.58 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-O 121.69 0.757 . . . . 0.0 111.628 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 t -72.52 153.81 7.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 124.788 1.235 . . . . 0.0 110.597 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.481 ' C ' ' H1 ' ' B' ' 1' ' ' MET . 28.4 tp . . . . . 0 C--O 1.254 1.301 0 C-N-CA 127.978 2.511 . . . . 0.0 110.996 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.497 -1.069 0 CA-C-O 118.36 -0.828 . . . . 0.0 111.753 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.58 133.46 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 O-C-N 124.883 1.365 . . . . 0.0 111.859 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -97.65 76.78 2.52 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.447 1.099 . . . . 0.0 109.876 -175.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -124.27 -44.95 1.99 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 123.074 0.55 . . . . 0.0 112.067 -170.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -120.2 5.4 10.77 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -164.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 48.95 81.3 0.05 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 122.807 1.289 . . . . 0.0 110.339 -154.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -61.01 166.78 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 113.786 -1.552 . . . . 0.0 111.15 172.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -67.73 160.32 28.35 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.959 0.885 . . . . 0.0 112.511 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m 69.7 162.03 0.22 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 127.997 2.519 . . . . 0.0 113.5 -166.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -55.7 153.04 8.59 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.6 1.56 . . . . 0.0 113.781 -160.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -105.67 136.19 45.72 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 125.585 1.554 . . . . 0.0 109.332 170.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -127.42 140.95 47.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 126.196 1.799 . . . . 0.0 107.698 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.9 m -137.94 124.11 20.4 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.2 ttm -140.87 145.57 36.35 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.724 0.693 . . . . 0.0 112.811 -166.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.7 tp -123.03 122.34 38.27 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 127.025 2.13 . . . . 0.0 109.812 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -129.84 169.62 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.128 1.771 . . . . 0.0 109.402 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -135.44 111.89 9.88 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.633 0.73 . . . . 0.0 111.421 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.15 164.02 1.4 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.042 1.737 . . . . 0.0 112.249 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -59.74 -30.07 68.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.45 1.1 . . . . 0.0 112.674 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -74.5 -2.74 27.02 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.14 0.976 . . . . 0.0 112.899 172.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.69 6.57 85.37 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.791 1.186 . . . . 0.0 113.916 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -83.24 119.09 24.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.654 1.182 . . . . 0.0 110.409 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -74.48 138.55 43.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.767 0.318 . . . . 0.0 111.403 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -141.25 139.47 33.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 122.121 0.962 . . . . 0.0 111.62 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -122.04 129.74 52.68 Favored 'General case' 0 C--O 1.245 0.838 0 C-N-CA 126.238 1.815 . . . . 0.0 109.605 -170.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -144.6 149.84 36.45 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 124.732 1.27 . . . . 0.0 112.788 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -94.35 141.8 28.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.739 1.615 . . . . 0.0 109.628 167.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -145.72 92.6 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.641 1.576 . . . . 0.0 108.745 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.37 172.16 8.24 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.378 0.671 . . . . 0.0 112.107 -175.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.53 35.53 51.51 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 115.149 -0.932 . . . . 0.0 113.071 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -140.4 -166.96 2.23 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 125.157 1.383 . . . . 0.0 110.81 -171.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.1 p -134.78 179.92 6.0 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 120.954 -1.091 . . . . 0.0 113.632 -172.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.09 -26.34 67.43 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -175.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.4 m -76.16 -28.59 57.42 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 124.13 0.972 . . . . 0.0 112.8 172.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -78.41 -29.33 47.14 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.695 0.798 . . . . 0.0 111.449 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.72 -45.14 93.07 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 118.824 -0.608 . . . . 0.0 111.342 164.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.44 -28.26 69.15 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 119.16 0.891 . . . . 0.0 113.067 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.5 t -67.5 -54.52 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 118.404 0.547 . . . . 0.0 110.319 169.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.1 tp -59.86 -42.71 94.27 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.88 0.764 . . . . 0.0 112.405 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -66.88 -47.75 70.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.357 1.463 . . . . 0.0 112.647 175.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.78 -33.53 9.04 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -168.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -81.4 -33.94 31.92 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.352 1.076 . . . . 0.0 112.656 -175.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 m -78.48 -26.74 46.14 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -160.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.02 2.68 0.11 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.312 2.645 . . . . 0.0 118.007 170.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -86.02 59.06 5.41 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.948 1.299 . . . . 0.0 111.696 -176.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 71.89 -28.98 0.19 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 129.866 3.266 . . . . 0.0 117.7 161.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm 58.45 110.76 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.257 1.823 . . . . 0.0 112.661 -172.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.8 mm -114.19 -54.24 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 113.86 -1.518 . . . . 0.0 108.385 -173.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -143.5 155.95 44.48 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.895 0.878 . . . . 0.0 110.043 168.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 pp -151.67 162.88 40.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.926 0.87 . . . . 0.0 111.578 162.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 ttp-105 -137.56 151.67 48.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 127.197 2.199 . . . . 0.0 109.33 171.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 tt -145.99 144.64 30.23 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.668 1.587 . . . . 0.0 108.983 172.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.71 134.28 30.09 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 125.736 1.614 . . . . 0.0 109.026 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 140.21 58.26 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.197 151.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.7 m -96.16 143.47 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.385 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.7 tp . . . . . 0 C--O 1.252 1.207 0 C-N-CA 127.131 2.172 . . . . 0.0 112.96 -167.79 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 CA--C 1.487 -1.447 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 p -136.52 -28.99 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 O-C-N 126.192 2.183 . . . . 0.0 113.667 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -133.84 143.77 48.54 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 123.769 0.828 . . . . 0.0 108.886 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -66.65 -64.21 0.9 Allowed 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 124.387 1.054 . . . . 0.0 110.911 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -148.16 39.88 0.93 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 122.721 1.248 . . . . 0.0 109.751 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . 0.265 28.9 p90 42.12 44.11 3.03 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.767 2.027 . . . . 0.0 114.083 -166.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.53 82.95 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 125.286 1.434 . . . . 0.0 109.894 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -146.54 -80.18 0.15 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.519 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -128.08 161.44 29.2 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.625 1.57 . . . . 0.0 109.66 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -51.73 145.34 9.55 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.529 1.131 . . . . 0.0 113.454 -155.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -94.31 135.98 35.11 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.415 1.886 . . . . 0.0 108.279 166.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.76 92.54 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 126.068 1.747 . . . . 0.0 108.114 172.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 61.8 m -91.11 117.17 29.39 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 124.927 1.291 . . . . 0.0 108.351 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 57.8 ttm -134.67 149.09 50.48 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 121.644 -0.66 . . . . 0.0 111.883 -171.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -128.28 110.95 12.87 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.631 1.572 . . . . 0.0 110.129 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.92 170.8 7.73 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 125.568 1.547 . . . . 0.0 110.599 173.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -128.0 119.65 25.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.828 0.851 . . . . 0.0 110.279 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.02 146.77 54.3 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 168.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.66 -8.83 45.87 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -175.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.9 -0.37 27.22 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.939 0.895 . . . . 0.0 112.944 165.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.07 8.27 59.08 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 125.874 1.702 . . . . 0.0 113.959 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -93.91 106.72 18.68 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.105 0.962 . . . . 0.0 110.074 -170.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -76.1 128.4 34.91 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.12 0.568 . . . . 0.0 110.94 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -130.92 122.53 27.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.969 0.89 . . . . 0.0 111.296 -177.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -76.67 147.76 37.26 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.987 170.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -140.92 150.63 43.4 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.62 1.168 . . . . 0.0 109.959 165.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -126.83 89.51 3.0 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.891 1.677 . . . . 0.0 108.638 -172.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -101.72 84.36 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -171.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.91 152.57 20.76 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 123.9 0.88 . . . . 0.0 112.541 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.03 23.59 34.65 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 124.056 0.836 . . . . 0.0 113.746 -174.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 mt -101.68 -174.56 2.62 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.423 1.489 . . . . 0.0 112.046 -173.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.0 p -133.63 176.16 8.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.365 -0.834 . . . . 0.0 110.042 166.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.08 -32.52 72.17 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 74.7 m -70.23 -27.31 64.36 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 174.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -81.14 -32.45 33.71 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.632 1.173 . . . . 0.0 111.226 175.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -58.57 -45.75 88.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.583 166.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.87 -25.21 64.87 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 63.4 t -71.0 -45.96 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 123.505 0.722 . . . . 0.0 111.648 171.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.19 -37.95 88.95 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.449 0.568 . . . . 0.0 111.544 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . 0.435 ' HA ' ' HG1' ' B' ' 43' ' ' THR . 10.3 t80 -67.59 -15.88 63.89 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.86 -35.7 92.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 121.144 -0.973 . . . . 0.0 112.678 165.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -80.13 -15.46 57.05 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.435 ' HG1' ' HA ' ' B' ' 40' ' ' TYR . 7.7 m -57.05 -20.34 24.18 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.383 1.473 . . . . 0.0 114.781 -178.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.07 -9.24 0.82 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 172.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.48 40.73 1.23 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 72.14 70.36 0.15 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.908 2.083 . . . . 0.0 112.711 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 tt -67.49 151.88 10.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.951 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.3 mm -122.11 -53.69 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 126.008 1.723 . . . . 0.0 109.743 -172.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -139.61 159.46 42.11 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 123.455 0.702 . . . . 0.0 111.976 172.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tp -152.56 140.89 20.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.616 1.567 . . . . 0.0 108.961 169.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 41.9 ttp85 -135.51 127.36 29.36 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.851 2.061 . . . . 0.0 108.619 168.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 tt -128.36 146.37 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 122.959 0.503 . . . . 0.0 110.036 173.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' B' ' 55' ' ' VAL . 5.4 t0 -147.32 131.49 17.37 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.495 1.118 . . . . 0.0 108.369 -173.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -70.13 16.5 0.07 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 170.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' B' ' 53' ' ' ASP . 19.0 m 34.51 90.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 131.016 3.726 . . . . 0.0 114.266 -173.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.8 tp . . . . . 0 C--O 1.257 1.47 0 CA-C-N 111.287 -2.688 . . . . 0.0 110.276 -172.805 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 m -140.09 159.97 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 C-N-CA 124.782 1.233 . . . . 0.0 108.092 167.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -59.3 148.78 30.91 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.209 0.604 . . . . 0.0 111.732 174.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -81.81 -58.0 3.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 122.89 0.476 . . . . 0.0 109.956 164.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.413 ' C ' ' H ' ' A' ' 7' ' ' VAL . 48.6 t0 -152.78 88.66 1.35 Allowed 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.93 1.292 . . . . 0.0 108.487 174.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.424 ' CE2' ' HE2' ' A' ' 29' ' ' LYS . 14.6 t80 63.03 -37.03 0.15 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.231 2.212 . . . . 0.0 114.068 -165.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.413 ' H ' ' C ' ' A' ' 5' ' ' ASP . 69.3 t -102.02 132.11 48.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 128.415 2.686 . . . . 0.0 110.398 -175.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -159.39 -76.01 0.07 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.769 0.828 . . . . 0.0 110.544 150.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.432 ' H ' ' HA2' ' A' ' 30' ' ' GLY . 70.6 m -117.79 -167.68 1.38 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 129.1 2.96 . . . . 0.0 109.774 -174.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -44.16 115.07 0.77 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.438 1.495 . . . . 0.0 112.104 -169.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -70.94 146.65 49.37 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 161.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -137.89 96.46 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 128.294 2.637 . . . . 0.0 107.89 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -96.47 105.84 17.99 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 127.298 2.239 . . . . 0.0 107.905 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.02 154.81 32.5 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 120.595 1.543 . . . . 0.0 111.44 -178.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tt -147.85 111.29 4.95 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.02 0.928 . . . . 0.0 109.615 -175.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.67 170.84 7.96 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.505 1.122 . . . . 0.0 109.943 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -125.13 122.66 37.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.074 1.35 . . . . 0.0 110.681 172.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.4 162.38 29.52 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.793 1.237 . . . . 0.0 111.963 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -62.95 -21.7 66.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.658 1.583 . . . . 0.0 114.097 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -79.16 0.0 30.05 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 118.933 0.788 . . . . 0.0 112.701 169.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.45 4.13 74.07 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.454 1.502 . . . . 0.0 113.442 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -80.28 112.19 17.38 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.774 1.23 . . . . 0.0 110.869 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -74.07 132.07 41.96 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 170.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -137.51 156.85 47.66 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 122.157 0.979 . . . . 0.0 111.642 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -121.82 133.57 54.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.288 1.435 . . . . 0.0 110.251 -161.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -134.79 75.52 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.617 1.967 . . . . 0.0 108.381 -168.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -95.53 109.82 21.98 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.028 0.918 . . . . 0.0 111.062 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -115.28 143.99 44.41 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.095 2.158 . . . . 0.0 108.336 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HE2' ' CE2' ' A' ' 6' ' ' PHE . 4.2 mptt -130.66 152.77 49.66 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.76 0.424 . . . . 0.0 111.484 -170.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.432 ' HA2' ' H ' ' A' ' 9' ' ' SER . . . 71.38 32.44 65.04 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 118.678 -1.068 . . . . 0.0 114.162 171.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.4 mt -111.7 -151.94 0.49 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.928 1.364 . . . . 0.0 110.24 -169.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.1 p -147.17 175.04 11.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.841 -1.162 . . . . 0.0 112.345 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.76 -34.09 73.93 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 m -65.02 -33.97 77.32 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.759 0.708 . . . . 0.0 111.747 172.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -75.43 -36.19 60.81 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.283 -0.886 . . . . 0.0 111.357 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -59.21 -50.61 73.37 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.382 1.073 . . . . 0.0 111.515 167.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -54.82 -41.28 70.47 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.268 1.427 . . . . 0.0 111.798 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.74 -55.41 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 118.797 -0.62 . . . . 0.0 111.25 170.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.7 tp -61.75 -44.03 97.69 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.782 1.174 . . . . 0.0 113.115 -173.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.82 -32.11 72.39 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.425 1.09 . . . . 0.0 112.079 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.51 -33.44 11.53 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-N 118.824 0.738 . . . . 0.0 114.457 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -89.26 -29.71 19.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.708 1.203 . . . . 0.0 112.255 -170.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -62.17 -43.82 97.97 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 118.923 -0.56 . . . . 0.0 111.814 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.39 -14.56 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.21 2.604 . . . . 0.0 117.627 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.17 158.81 27.76 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 122.36 1.076 . . . . 0.0 111.253 169.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.35 108.45 1.95 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.207 -173.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.99 125.73 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 124.867 1.267 . . . . 0.0 110.843 176.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.3 mm -107.28 -42.91 6.44 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.082 0 C-N-CA 127.445 2.298 . . . . 0.0 108.108 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -143.89 150.63 38.7 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.305 1.042 . . . . 0.0 110.212 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -146.61 162.4 38.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.793 0.806 . . . . 0.0 110.018 149.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 ttp85 -142.53 124.44 15.2 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 127.625 2.37 . . . . 0.0 108.521 173.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 tt -118.31 144.94 45.46 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.787 1.635 . . . . 0.0 107.921 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -150.35 112.78 4.68 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -172.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -67.03 87.5 0.15 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 122.04 0.924 . . . . 0.0 110.781 170.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t -68.1 151.7 10.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 124.442 1.097 . . . . 0.0 110.558 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.5 tp . . . . . 0 C--O 1.248 0.986 1 C-N-CA 131.883 4.073 . . . . 0.0 114.506 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.1 m -62.01 143.02 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-O 123.427 1.584 . . . . 0.0 111.395 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.83 73.77 10.3 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 112.745 -2.025 . . . . 0.0 110.467 -170.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -62.0 -37.78 86.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.573 0.749 . . . . 0.0 113.009 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -140.32 -93.21 0.16 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.742 1.617 . . . . 0.0 109.17 170.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -114.89 -34.15 5.2 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.113 0.965 . . . . 0.0 112.621 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.25 0.8 OUTLIER 52.66 166.31 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 131.28 3.832 . . . . 0.0 116.736 170.788 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 89.05 -89.29 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 130.776 3.63 . . . . 0.0 113.008 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -168.66 -176.56 2.8 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.832 1.653 . . . . 0.0 108.734 -170.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -35.52 130.22 0.53 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.619 2.367 . . . . 0.0 112.902 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -105.12 103.26 12.77 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 127.232 2.213 . . . . 0.0 109.871 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 t -86.26 133.37 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 168.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 37.0 m -129.59 93.33 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 165.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 37.1 ttp -106.25 160.28 15.47 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.536 0.734 . . . . 0.0 111.071 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.3 120.04 8.08 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.611 0.764 . . . . 0.0 110.812 -168.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.42 174.83 5.92 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.406 1.883 . . . . 0.0 110.471 -174.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -132.15 124.68 29.56 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 124.269 1.028 . . . . 0.0 110.113 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.96 165.21 23.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.888 1.275 . . . . 0.0 112.393 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -54.47 -34.78 62.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.776 1.631 . . . . 0.0 112.87 171.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.26 0.22 14.88 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.301 -0.875 . . . . 0.0 113.2 173.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.28 6.05 89.42 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.312 1.434 . . . . 0.0 113.666 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -78.28 122.5 25.8 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.686 -0.89 . . . . 0.0 110.283 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -79.49 130.29 35.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.637 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -132.53 140.86 48.49 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.93 0.871 . . . . 0.0 111.712 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -88.05 152.12 22.26 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.038 1.335 . . . . 0.0 111.727 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -134.36 79.2 1.79 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.395 2.278 . . . . 0.0 108.133 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -73.96 116.72 14.91 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.589 1.556 . . . . 0.0 109.899 169.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -143.77 101.11 3.7 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.113 0.965 . . . . 0.0 110.626 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.67 168.18 9.99 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.504 0.722 . . . . 0.0 112.888 177.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.95 39.37 38.44 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.408 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 pp -135.32 -165.58 1.7 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.986 1.314 . . . . 0.0 109.442 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.0 p -137.81 -176.76 4.53 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.239 -0.913 . . . . 0.0 113.372 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.8 mt -57.74 -41.94 82.91 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -168.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -63.7 -31.7 72.95 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -79.12 -34.75 43.09 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.877 1.271 . . . . 0.0 111.811 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.32 -46.04 91.29 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.596 -0.69 . . . . 0.0 110.74 166.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.24 -30.53 69.48 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.772 0.829 . . . . 0.0 113.089 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 70.7 t -63.54 -52.2 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 118.677 0.672 . . . . 0.0 110.396 170.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 24.4 tp -57.76 -51.19 70.57 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.407 1.083 . . . . 0.0 111.628 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -60.2 -39.26 85.94 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.095 2.158 . . . . 0.0 112.451 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.29 -22.99 64.0 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-O 118.945 -0.92 . . . . 0.0 114.612 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -99.28 -37.86 9.1 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.981 1.39 . . . . 0.0 113.984 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m -78.06 -45.68 22.9 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.295 0.498 . . . . 0.0 111.672 -161.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.56 -1.82 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 128.93 2.892 . . . . 0.0 118.563 161.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' B' ' 47' ' ' ILE . 10.1 m-20 -70.46 81.55 0.57 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.339 1.456 . . . . 0.0 113.045 -175.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 60.25 -16.22 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.771 2.828 . . . . 0.0 117.127 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.431 ' H ' ' C ' ' B' ' 45' ' ' ASP 0.292 3.2 tp 38.68 99.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 131.372 3.869 . . . . 0.0 113.081 172.337 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.7 mm -108.26 -47.03 7.6 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 C-N-CA 129.154 2.982 . . . . 0.0 109.073 -160.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -142.4 161.13 38.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.6 0.714 . . . . 0.0 110.975 169.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 tp -154.18 123.38 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.81 1.244 . . . . 0.0 107.939 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -115.22 143.53 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 165.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 53.7 tp -134.79 143.87 47.33 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 167.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -148.6 111.54 4.85 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.824 1.25 . . . . 0.0 108.025 -171.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -69.44 96.8 0.92 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.411 -0.806 . . . . 0.0 110.885 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.19 151.67 9.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.393 165.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.841 2.057 . . . . 0.0 108.675 -171.62 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.928 0 CA-C-O 118.939 -0.553 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.5 t -77.73 -40.59 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 124.173 0.92 . . . . 0.0 110.451 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -60.29 142.34 54.81 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.431 1.092 . . . . 0.0 111.631 167.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 58.44 20.2 7.22 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.261 1.424 . . . . 0.0 113.163 -174.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -135.24 -70.71 0.48 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.45 0.7 . . . . 0.0 111.645 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -94.08 -26.43 16.75 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.834 0.854 . . . . 0.0 111.8 169.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.3 t -118.66 95.62 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 125.849 1.659 . . . . 0.0 108.616 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -144.95 -68.73 0.3 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.841 0.856 . . . . 0.0 111.601 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m -140.95 -177.4 5.07 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 127.033 2.133 . . . . 0.0 109.13 -172.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -41.53 130.08 3.13 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.221 1.408 . . . . 0.0 113.816 -167.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -109.8 96.21 6.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 127.765 2.426 . . . . 0.0 109.007 -168.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.9 t -95.51 143.0 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.568 1.547 . . . . 0.0 110.307 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.6 m -144.28 118.47 9.51 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 124.143 0.977 . . . . 0.0 108.469 172.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.8 mtt -125.1 161.88 25.82 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.375 0.988 . . . . 0.0 113.035 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tt -141.87 115.61 9.14 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.507 1.523 . . . . 0.0 109.077 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.89 166.75 16.31 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.518 1.127 . . . . 0.0 109.78 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -125.55 118.04 24.89 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.257 1.023 . . . . 0.0 110.182 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.57 159.44 21.77 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.594 1.158 . . . . 0.0 111.924 175.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.93 -18.82 63.58 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.82 -3.14 36.87 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.654 0.782 . . . . 0.0 112.99 168.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.72 6.71 69.75 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 125.766 1.65 . . . . 0.0 113.581 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -85.8 112.43 21.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.481 1.112 . . . . 0.0 110.579 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -74.83 132.92 41.91 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.261 0.625 . . . . 0.0 110.943 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -136.26 154.13 50.99 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.107 0.963 . . . . 0.0 111.63 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -121.93 136.01 54.9 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.438 1.495 . . . . 0.0 110.897 -165.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -136.49 85.35 2.14 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.17 1.388 . . . . 0.0 110.404 -164.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -87.1 125.23 34.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.337 0.655 . . . . 0.0 110.324 172.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -144.61 98.66 3.23 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.36 1.064 . . . . 0.0 111.059 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.89 173.39 6.34 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.648 0.779 . . . . 0.0 112.672 177.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.17 31.07 66.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.59 -0.561 . . . . 0.0 113.342 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 pp -130.42 -163.06 1.27 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.551 1.14 . . . . 0.0 111.013 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.9 p -142.91 -177.39 5.31 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.144 -0.973 . . . . 0.0 112.83 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.64 -32.34 73.79 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -165.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 p -63.77 -31.94 73.27 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.675 1.19 . . . . 0.0 112.707 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.99 -31.23 34.81 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.221 1.008 . . . . 0.0 112.113 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -60.43 -45.68 92.77 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.443 -0.786 . . . . 0.0 110.9 165.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.38 -42.36 70.26 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.229 1.812 . . . . 0.0 112.488 174.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.67 -50.4 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.258 173.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -55.58 31.93 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.657 1.117 . . . . 0.0 110.908 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -59.71 -41.04 89.92 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.154 0.982 . . . . 0.0 112.23 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.9 -30.39 26.3 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-O 119.191 -0.783 . . . . 0.0 114.912 -174.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -82.12 -37.5 26.18 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.986 1.393 . . . . 0.0 111.394 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 p -65.7 -51.4 59.63 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.019 0.527 . . . . 0.0 111.49 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.98 17.57 0.68 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.288 2.235 . . . . 0.0 114.387 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -82.21 170.88 14.92 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.592 1.557 . . . . 0.0 111.975 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.51 100.71 0.52 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.008 0.923 . . . . 0.0 110.188 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 129.07 36.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.059 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -109.83 -45.84 6.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 127.644 2.377 . . . . 0.0 108.19 -176.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -140.46 148.34 41.0 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.537 1.535 . . . . 0.0 110.157 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -143.54 158.46 43.64 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.632 1.206 . . . . 0.0 111.738 149.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -139.82 147.19 40.38 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 127.362 2.265 . . . . 0.0 109.052 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.5 tt -144.67 135.49 24.81 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.832 1.653 . . . . 0.0 108.658 164.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -129.3 141.25 51.15 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.532 1.133 . . . . 0.0 108.726 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -64.06 153.29 37.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.916 0.865 . . . . 0.0 110.762 163.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.0 t -134.03 152.79 34.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 114.166 -1.379 . . . . 0.0 107.53 169.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.9 tp . . . . . 0 C--O 1.253 1.263 0 C-N-CA 128.285 2.634 . . . . 0.0 111.041 -179.802 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.9 ttm . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 117.671 -1.157 . . . . 0.0 112.903 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.467 ' C ' ' H ' ' B' ' 4' ' ' ASN . 28.7 m -114.31 -9.28 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.936 1.295 . . . . 0.0 114.205 -174.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -70.88 8.62 0.85 Allowed 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' B' ' 2' ' ' VAL . 12.6 p-10 -82.03 -16.35 50.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.25 1.82 . . . . 0.0 112.442 166.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -139.78 -50.94 0.5 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.427 1.091 . . . . 0.0 110.888 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -85.82 60.45 6.24 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.669 1.188 . . . . 0.0 109.48 170.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.85 175.83 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 127.119 2.168 . . . . 0.0 111.858 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -57.74 177.01 0.12 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 49.6 m 75.3 145.66 0.08 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 127.82 2.448 . . . . 0.0 112.221 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -52.17 149.82 5.02 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.934 2.094 . . . . 0.0 114.382 -154.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -117.07 93.81 4.33 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 126.778 2.031 . . . . 0.0 109.609 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 38.7 t -82.03 130.67 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 166.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 31.3 m -132.54 87.7 2.45 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.878 1.671 . . . . 0.0 107.028 172.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 6.0 mtp -94.43 168.44 10.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.913 0.885 . . . . 0.0 110.651 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.4 149.42 31.72 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.136 0.97 . . . . 0.0 111.218 157.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -134.72 172.29 13.16 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.275 1.83 . . . . 0.0 109.507 -172.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -119.93 141.43 49.64 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.328 0.651 . . . . 0.0 110.492 -175.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.69 171.68 8.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.398 1.079 . . . . 0.0 110.087 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.0 -35.33 76.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.652 1.181 . . . . 0.0 112.811 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -83.35 -2.34 55.52 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.451 1.1 . . . . 0.0 112.958 173.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.31 83.21 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-O 118.122 -1.377 . . . . 0.0 114.762 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -61.22 -24.45 66.36 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.999 1.9 . . . . 0.0 115.565 -166.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 59.09 136.56 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 128.381 2.672 . . . . 0.0 114.152 -167.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -139.93 141.63 36.46 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.644 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -81.01 151.87 28.21 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 122.2 1.0 . . . . 0.0 111.79 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -131.84 74.44 1.59 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 127.363 2.265 . . . . 0.0 107.512 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -78.86 117.86 20.36 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.201 1.8 . . . . 0.0 109.928 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -141.85 93.5 2.56 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 126.225 1.81 . . . . 0.0 109.632 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -120.49 147.21 45.43 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.649 1.18 . . . . 0.0 110.896 -172.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.65 36.62 6.06 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.146 0.879 . . . . 0.0 112.502 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.05 -161.85 1.22 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.803 1.241 . . . . 0.0 110.724 -175.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.0 p -138.23 -178.28 5.21 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.17 -37.68 88.12 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.2 p -66.54 -25.68 66.78 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.913 -0.492 . . . . 0.0 112.145 173.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -81.17 -34.41 32.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.662 1.185 . . . . 0.0 111.595 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -58.59 -45.32 89.35 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.483 -0.76 . . . . 0.0 111.037 166.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.29 -26.94 65.4 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.33 -51.99 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.85 0.75 . . . . 0.0 110.648 170.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.55 -46.59 88.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.284 0.634 . . . . 0.0 111.105 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -59.28 -55.49 34.14 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.322 1.049 . . . . 0.0 111.709 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.53 -19.68 76.52 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 118.953 -0.915 . . . . 0.0 114.879 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -96.26 -39.84 9.46 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.662 1.231 . . . . 0.0 112.597 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.1 m -124.21 -23.62 4.5 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -155.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.82 23.32 0.08 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -169.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.24 118.2 4.18 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.385 1.074 . . . . 0.0 110.163 174.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 49.68 58.56 5.3 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.071 1.748 . . . . 0.0 114.309 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 tt -63.48 151.33 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 1.2 mp -110.06 -55.81 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 127.753 2.421 . . . . 0.0 107.473 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -139.21 146.08 40.07 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.566 0.698 . . . . 0.0 112.573 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 tp -139.35 128.06 23.28 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 127.55 2.34 . . . . 0.0 108.408 170.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.21 136.62 52.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.67 1.988 . . . . 0.0 107.093 168.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.1 tp -142.66 127.17 17.87 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 171.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.43 146.08 49.12 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 123.738 0.815 . . . . 0.0 109.242 173.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -62.08 152.26 33.24 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.635 155.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -132.33 134.03 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 121.724 0.773 . . . . 0.0 109.231 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--O 1.248 0.98 0 C-N-CA 128.568 2.747 . . . . 0.0 109.561 -166.647 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptt? . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 118.007 -0.996 . . . . 0.0 109.689 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.9 m -53.29 163.76 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 119.578 1.081 . . . . 0.0 112.572 166.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -69.86 74.51 0.44 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.368 1.467 . . . . 0.0 112.879 -173.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -98.64 -20.56 16.91 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 126.137 1.775 . . . . 0.0 112.079 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -139.82 -168.77 2.57 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.347 1.859 . . . . 0.0 108.23 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -73.59 59.49 0.63 Allowed 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.041 -1.037 . . . . 0.0 111.513 168.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.96 100.25 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 123.969 0.908 . . . . 0.0 112.058 -165.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -156.62 -79.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.03 1.332 . . . . 0.0 109.026 168.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 t -144.15 171.58 14.1 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.783 1.633 . . . . 0.0 108.818 169.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -45.52 139.37 3.84 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.698 1.599 . . . . 0.0 113.561 -156.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -98.68 134.93 40.9 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.07 1.348 . . . . 0.0 109.19 166.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 t -127.49 92.69 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 126.0 1.72 . . . . 0.0 109.373 175.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.5 m -78.73 100.05 6.91 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.5 ttm -124.42 141.11 52.33 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.314 0.646 . . . . 0.0 110.628 -174.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.448 HD13 ' HB3' ' A' ' 25' ' ' TYR . 19.8 tp -137.64 128.53 27.21 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 127.174 2.19 . . . . 0.0 109.432 -176.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -130.75 175.28 9.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.189 1.396 . . . . 0.0 110.318 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -136.71 119.88 16.66 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.381 0.673 . . . . 0.0 111.159 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -66.02 162.23 19.86 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.014 0.925 . . . . 0.0 112.05 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.19 -21.56 66.61 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -76.5 -8.56 57.42 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 170.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.74 6.49 60.7 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 125.463 1.506 . . . . 0.0 114.004 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -80.89 116.53 20.91 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.888 0.875 . . . . 0.0 110.653 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -78.9 136.79 37.39 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.119 172.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -142.03 144.29 33.56 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.354 0.597 . . . . 0.0 111.079 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.448 ' HB3' HD13 ' A' ' 15' ' ' LEU . 2.1 p90 -146.2 165.69 28.44 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.305 -174.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.77 161.73 37.02 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.739 158.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -80.43 87.17 5.67 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 125.105 1.362 . . . . 0.0 108.683 161.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.18 91.78 6.77 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -125.42 167.43 14.97 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -164.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.81 34.93 66.01 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.665 -174.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -135.83 -162.97 1.33 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.399 1.08 . . . . 0.0 110.474 -173.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.9 p -138.83 -179.4 5.81 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 120.941 -1.099 . . . . 0.0 113.493 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.7 -34.7 76.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -70.19 -26.91 64.11 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.187 -0.945 . . . . 0.0 113.131 173.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -80.59 -31.38 36.74 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 123.521 0.728 . . . . 0.0 112.347 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -59.23 -47.05 86.77 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.226 0.611 . . . . 0.0 110.972 166.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.89 -30.74 70.35 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.4 t -68.92 -50.45 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.34 168.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.6 tp -54.27 -50.9 66.2 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.36 0.982 . . . . 0.0 112.137 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -61.34 -37.63 83.98 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.33 1.052 . . . . 0.0 112.657 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.6 -26.19 43.61 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -85.92 -41.23 15.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.148 0.979 . . . . 0.0 111.169 -177.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.6 p -69.99 -48.0 59.96 Favored 'General case' 0 C--O 1.221 -0.403 0 O-C-N 123.504 0.502 . . . . 0.0 112.309 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.94 0.7 0.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 118.25 2.685 . . . . 0.0 118.25 172.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -80.88 45.6 0.83 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.513 1.525 . . . . 0.0 112.748 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 65.33 -5.77 0.42 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.35 2.66 . . . . 0.0 117.373 157.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm 62.91 142.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 127.559 2.344 . . . . 0.0 113.373 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.6 mm -119.59 -49.53 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 113.845 -1.525 . . . . 0.0 108.354 168.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -136.02 152.54 51.02 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-O 121.694 0.759 . . . . 0.0 111.628 170.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.8 tp -148.53 131.24 15.97 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.44 1.896 . . . . 0.0 108.126 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttt-85 -135.58 143.03 45.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.651 1.18 . . . . 0.0 107.904 166.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -141.32 147.31 37.93 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.715 0.806 . . . . 0.0 109.476 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 55' ' ' VAL . 6.9 t70 -153.09 129.32 10.48 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.322 -172.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.255 6.5 ptpt -70.96 18.27 0.06 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 173.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 53' ' ' ASP . 19.2 m 37.11 96.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 130.817 3.647 . . . . 0.0 115.69 177.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.26 1.616 0 C-N-CA 127.913 2.485 . . . . 0.0 116.225 -162.929 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 CA--C 1.498 -1.038 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 38.6 t 67.34 -58.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.985 0 C-N-CA 127.458 2.303 . . . . 0.0 113.258 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -66.85 109.99 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.936 1.294 . . . . 0.0 110.93 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -78.93 -20.27 49.71 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -89.25 -68.73 0.76 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.492 0.717 . . . . 0.0 110.738 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.513 ' CZ ' ' HE2' ' B' ' 29' ' ' LYS . 87.3 m-85 -76.59 70.96 3.17 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.909 0.861 . . . . 0.0 109.484 163.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -72.77 153.79 7.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 125.372 1.469 . . . . 0.0 111.473 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -63.17 138.85 58.68 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 123.446 1.594 . . . . 0.0 113.144 175.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.7 m 141.07 -172.68 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 128.23 2.612 . . . . 0.0 107.826 -144.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -89.52 172.81 8.71 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 122.718 1.247 . . . . 0.0 109.635 149.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.44 146.22 49.6 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 129.265 3.026 . . . . 0.0 106.845 172.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -133.35 142.23 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 127.109 2.163 . . . . 0.0 109.733 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -138.93 140.36 38.3 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.254 1.422 . . . . 0.0 108.249 167.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.7 tpp -145.8 148.92 33.45 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.647 0.779 . . . . 0.0 109.241 -169.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -141.96 121.95 13.69 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.177 0.991 . . . . 0.0 109.442 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -118.75 171.51 8.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.431 1.892 . . . . 0.0 110.622 -173.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -136.82 118.98 15.49 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 124.005 0.922 . . . . 0.0 110.59 172.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.51 160.4 22.35 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.709 0.804 . . . . 0.0 111.601 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.24 -25.83 65.96 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -76.74 -0.36 23.44 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.527 0.731 . . . . 0.0 112.866 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.45 6.37 70.88 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.81 1.672 . . . . 0.0 114.349 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -87.79 115.19 25.07 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.849 1.26 . . . . 0.0 110.47 -175.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -75.83 140.37 42.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.662 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -143.16 148.71 36.98 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 122.36 1.076 . . . . 0.0 111.797 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -112.33 142.84 44.35 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.727 2.011 . . . . 0.0 110.466 -171.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -153.85 109.55 3.23 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.228 -167.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -121.69 150.16 42.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.634 0.73 . . . . 0.0 110.995 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -152.31 104.48 2.94 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.698 1.199 . . . . 0.0 109.599 -170.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.513 ' HE2' ' CZ ' ' B' ' 6' ' ' PHE . 75.4 mttt -90.22 168.37 11.99 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.008 0.923 . . . . 0.0 109.617 171.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.32 38.48 91.49 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 119.588 -0.562 . . . . 0.0 114.314 169.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.05 -162.65 1.28 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.176 0.99 . . . . 0.0 111.596 -177.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 28.7 p -133.34 176.55 8.43 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.21 -0.931 . . . . 0.0 113.102 -176.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.35 -37.23 82.6 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 49.2 m -65.01 -30.5 71.49 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -77.61 -31.4 52.86 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.04 0.936 . . . . 0.0 112.062 175.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -61.2 -45.28 95.24 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.742 -0.599 . . . . 0.0 111.893 167.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -60.93 -31.21 70.75 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.15 -51.22 62.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.009 169.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.22 -53.29 59.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.356 0.98 . . . . 0.0 111.013 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -57.63 -49.07 77.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.708 1.203 . . . . 0.0 112.131 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.51 -28.52 35.66 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-O 119.19 -0.783 . . . . 0.0 115.012 -171.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -89.71 -39.78 12.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.767 1.283 . . . . 0.0 111.626 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 38.2 m -81.3 -50.66 9.25 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 119.424 -0.322 . . . . 0.0 110.677 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.89 -1.12 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 119.888 3.292 . . . . 0.0 119.888 164.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -64.94 92.17 0.1 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.708 1.203 . . . . 0.0 113.395 -171.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 66.99 -35.08 0.24 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 129.474 3.11 . . . . 0.0 115.814 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.4 mm 56.8 107.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 127.399 2.279 . . . . 0.0 112.11 -170.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 45.5 mm -108.14 -51.76 7.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.817 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -140.75 156.38 46.2 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.394 1.077 . . . . 0.0 109.487 170.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 pp -152.7 164.94 36.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.886 0.85 . . . . 0.0 111.278 154.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -142.07 145.83 34.77 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.259 2.224 . . . . 0.0 109.519 173.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 tt -142.56 144.82 33.07 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.982 1.313 . . . . 0.0 109.501 164.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.86 134.84 35.58 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.48 1.512 . . . . 0.0 107.616 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -68.04 139.82 56.29 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.572 0.701 . . . . 0.0 109.265 154.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -124.73 145.71 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 125.551 1.54 . . . . 0.0 109.347 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.247 0.926 0 C-N-CA 128.316 2.647 . . . . 0.0 113.075 -169.179 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 CA--C 1.511 -0.528 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.7 152.99 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 122.381 1.086 . . . . 0.0 111.952 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -76.19 76.33 3.01 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.653 171.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -69.5 -39.23 77.71 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.71 168.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -138.78 -177.0 4.68 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 150.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -52.18 120.97 6.03 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.815 0.817 . . . . 0.0 111.807 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -115.83 142.77 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 113.951 -1.477 . . . . 0.0 111.714 -155.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t70 69.55 -64.97 0.32 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 128.121 2.568 . . . . 0.0 115.696 167.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t -155.92 -177.36 6.52 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.642 1.577 . . . . 0.0 110.604 -169.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -42.93 131.55 4.14 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.479 1.511 . . . . 0.0 113.178 -167.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -77.47 148.23 35.49 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.008 156.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -135.06 92.71 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 125.921 1.688 . . . . 0.0 108.443 159.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 m -68.36 124.22 22.92 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 165.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 1.8 tpp -139.24 148.5 43.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.775 0.798 . . . . 0.0 111.495 -177.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' N ' ' HG3' ' A' ' 14' ' ' MET . 0.1 OUTLIER -149.07 128.33 12.9 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.123 -176.362 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.35 168.31 10.75 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 113.574 -1.648 . . . . 0.0 109.308 175.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -86.45 156.6 20.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.543 153.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.15 177.76 8.36 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 122.022 0.915 . . . . 0.0 112.333 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.0 -19.39 64.3 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 -161.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.8 -5.06 27.33 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 171.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.06 13.89 65.5 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 124.587 1.089 . . . . 0.0 113.075 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -128.72 156.59 43.27 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 125.169 1.388 . . . . 0.0 110.241 -171.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -81.12 150.54 28.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.391 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -141.41 141.16 33.76 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.969 0.89 . . . . 0.0 111.115 176.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -132.15 133.18 43.96 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.003 -1.453 . . . . 0.0 110.308 -159.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.0 159.44 44.21 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 122.525 1.155 . . . . 0.0 112.41 165.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -83.87 139.91 32.33 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 112.857 -1.974 . . . . 0.0 111.716 161.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -126.7 81.09 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.011 0.924 . . . . 0.0 108.509 172.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.39 167.77 9.6 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -170.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.15 37.09 91.19 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.806 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.97 -167.37 1.94 Allowed 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.463 1.105 . . . . 0.0 109.613 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 p -139.08 179.6 6.41 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 120.886 -1.134 . . . . 0.0 112.939 -173.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.66 -26.63 68.47 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.8 p -77.94 -24.8 48.12 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 171.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -79.16 -32.51 44.31 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.964 1.306 . . . . 0.0 111.305 171.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -59.19 -43.27 92.21 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.861 0.864 . . . . 0.0 111.759 167.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -60.91 -28.79 69.17 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.3 t -69.37 -49.09 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 119.135 -0.459 . . . . 0.0 110.573 170.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.3 tp -59.37 -48.0 83.31 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.696 0.68 . . . . 0.0 111.466 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -67.63 -23.01 65.3 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.03 -25.3 27.23 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-O 119.513 -0.604 . . . . 0.0 114.468 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -118.71 -21.93 7.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.928 0.864 . . . . 0.0 113.109 -167.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.2 m -129.2 -6.64 4.85 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -164.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.1 18.89 0.06 Allowed 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.42 113.27 5.84 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.291 1.036 . . . . 0.0 113.118 -176.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 59.02 53.73 5.4 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 126.651 1.98 . . . . 0.0 112.673 -172.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.5 tt -64.46 151.63 9.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.0 mm -135.34 -57.3 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.745 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.408 ' HB2' HD22 ' A' ' 15' ' ' LEU . 37.3 mttm -138.56 157.54 45.96 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-O 122.061 0.934 . . . . 0.0 111.853 176.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.1 tt -154.93 123.72 6.15 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.239 1.816 . . . . 0.0 107.872 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -130.52 90.84 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.263 1.425 . . . . 0.0 108.662 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.2 tt -81.33 138.23 35.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.388 165.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -149.9 129.41 13.05 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -55.76 153.34 8.38 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-O 122.963 1.363 . . . . 0.0 111.967 170.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.67 159.89 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 113.511 -1.677 . . . . 0.0 111.662 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.0 tp . . . . . 0 C--N 1.313 -1.01 0 CA-C-N 111.129 -2.759 . . . . 0.0 112.611 177.21 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tpt . . . . . 0 N--CA 1.471 0.593 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.423 ' C ' ' H ' ' B' ' 4' ' ' ASN . 9.4 p -128.23 166.96 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 125.003 1.321 . . . . 0.0 108.407 176.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -70.54 27.42 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -173.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' B' ' 2' ' ' VAL . 18.6 t-20 -145.12 -19.32 0.49 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.824 1.649 . . . . 0.0 114.789 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.78 -32.61 12.62 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 120.33 1.423 . . . . 0.0 113.637 -167.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -65.54 -14.23 60.62 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 161.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.271 7.5 p 40.93 59.55 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 129.694 3.198 . . . . 0.0 114.293 170.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -154.49 -147.1 0.2 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.385 1.074 . . . . 0.0 109.576 -178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -98.94 -176.25 3.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.886 2.074 . . . . 0.0 109.535 162.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -43.68 134.64 4.17 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.971 1.308 . . . . 0.0 112.166 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -95.44 130.6 42.2 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 124.743 1.217 . . . . 0.0 109.962 169.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -115.6 124.91 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 124.804 1.241 . . . . 0.0 108.194 167.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 86.8 m -122.98 95.26 4.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 125.546 1.538 . . . . 0.0 107.067 172.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.3 ttp -113.46 147.37 37.98 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.119 0.967 . . . . 0.0 109.156 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -131.79 134.26 45.63 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.152 1.381 . . . . 0.0 109.525 -175.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -124.38 169.07 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.209 1.403 . . . . 0.0 109.952 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -108.05 136.52 47.59 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 122.815 1.293 . . . . 0.0 111.411 173.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.92 160.93 27.03 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.567 1.547 . . . . 0.0 110.944 175.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -65.07 -21.07 66.76 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.8 -13.62 59.84 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 169.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.77 5.19 58.76 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.956 1.265 . . . . 0.0 114.126 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -76.52 165.86 24.21 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 117.769 0.785 . . . . 0.0 110.011 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -89.02 151.9 22.0 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.906 -0.496 . . . . 0.0 110.394 169.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -138.21 157.77 45.62 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.098 0.951 . . . . 0.0 111.228 160.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -103.73 150.32 24.16 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.538 -171.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -131.44 73.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 128.112 2.565 . . . . 0.0 107.497 166.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -86.53 120.71 28.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.406 1.482 . . . . 0.0 110.162 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -142.96 84.55 1.84 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 126.915 2.086 . . . . 0.0 110.633 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -68.78 143.7 54.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.94 164.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.91 51.31 4.82 Favored Glycine 0 CA--C 1.519 0.299 0 O-C-N 123.394 0.434 . . . . 0.0 113.925 163.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.88 -162.8 1.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.206 0.603 . . . . 0.0 109.746 172.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -137.73 177.6 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.057 -1.027 . . . . 0.0 112.32 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.25 -32.52 73.23 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -174.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -71.76 -31.93 67.15 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 173.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -75.56 -32.57 60.44 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.272 0.629 . . . . 0.0 111.619 174.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . 0.431 ' CE1' HD13 ' B' ' 50' ' ' LEU . 15.5 t80 -62.81 -40.32 97.0 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.612 -0.68 . . . . 0.0 111.673 170.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.63 -36.34 76.15 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 173.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.88 -48.16 80.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 119.033 -0.508 . . . . 0.0 110.797 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 50.4 tp -58.82 -54.05 51.48 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.239 1.016 . . . . 0.0 112.48 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.43 -41.7 97.59 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.35 -31.23 76.52 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.39 -0.672 . . . . 0.0 114.629 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -86.54 -24.79 25.35 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 118.04 0.92 . . . . 0.0 112.728 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 55.2 m -66.74 -63.89 0.97 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.107 0.563 . . . . 0.0 111.221 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 46.77 33.26 2.05 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -114.03 -179.41 3.63 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.785 1.234 . . . . 0.0 111.146 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.4 90.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 125.712 1.605 . . . . 0.0 112.029 -176.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -64.31 131.1 29.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 124.479 1.112 . . . . 0.0 110.816 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mm -116.3 -53.62 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 113.225 -1.807 . . . . 0.0 108.088 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -142.56 151.85 41.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.756 0.822 . . . . 0.0 109.687 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.431 HD13 ' CE1' ' B' ' 36' ' ' PHE . 1.7 tp -148.07 110.96 4.8 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.369 1.068 . . . . 0.0 108.796 171.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.38 107.17 15.87 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.19 1.396 . . . . 0.0 109.061 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.8 tt -105.47 139.43 40.1 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 123.292 0.637 . . . . 0.0 109.487 169.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -151.91 104.27 2.99 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -167.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -57.99 139.97 53.33 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 122.462 1.125 . . . . 0.0 111.972 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.5 t -129.49 145.74 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.356 -1.747 . . . . 0.0 107.104 160.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 C--O 1.249 1.038 0 CA-C-N 114.5 -1.227 . . . . 0.0 112.083 -161.485 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 ttt . . . . . 0 CA--C 1.509 -0.631 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.3 m -94.95 -17.01 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.927 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 38.54 32.57 0.05 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 129.779 3.232 . . . . 0.0 116.284 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -72.78 -22.85 60.77 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.94 1.696 . . . . 0.0 112.15 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -83.95 4.52 29.32 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 127.211 2.205 . . . . 0.0 112.364 171.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 68.14 5.68 4.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.47 1.908 . . . . 0.0 113.829 -172.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.421 HG21 ' H ' ' A' ' 8' ' ' ASP 0.301 2.1 p 55.53 -175.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 130.14 3.376 . . . . 0.0 116.152 169.191 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.421 ' H ' HG21 ' A' ' 7' ' ' VAL . 24.9 t0 -113.31 172.54 6.89 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.559 1.944 . . . . 0.0 111.444 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 86.76 -142.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.749 2.02 . . . . 0.0 109.589 -164.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -105.51 170.77 7.7 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 123.604 1.669 . . . . 0.0 112.808 168.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -129.53 129.04 43.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 130.453 3.501 . . . . 0.0 107.966 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.86 121.59 61.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 125.219 1.408 . . . . 0.0 109.144 -175.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.1 m -123.9 102.46 7.8 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -175.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.5 ttm -126.97 149.46 49.85 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.534 0.683 . . . . 0.0 112.039 -164.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 tt -136.94 106.9 6.27 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.017 1.727 . . . . 0.0 109.817 -174.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -108.63 164.41 12.39 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.649 0.738 . . . . 0.0 110.467 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -104.69 121.76 44.25 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.15 1.38 . . . . 0.0 110.95 170.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -79.48 173.12 12.91 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.737 2.415 . . . . 0.0 112.638 176.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -64.93 -24.34 67.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.72 -6.21 59.35 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.365 0.666 . . . . 0.0 112.663 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.04 19.45 79.78 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.014 0.816 . . . . 0.0 114.29 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -85.1 -26.82 26.69 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.491 1.116 . . . . 0.0 112.823 -173.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 70.8 145.73 0.06 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 128.906 2.882 . . . . 0.0 112.557 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -141.04 135.54 31.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.928 0.871 . . . . 0.0 111.64 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -114.48 132.14 56.38 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 127.586 2.354 . . . . 0.0 109.373 -173.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -150.44 142.56 24.07 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.763 0.792 . . . . 0.0 112.952 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -92.45 138.87 31.15 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.146 1.378 . . . . 0.0 110.8 173.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -145.37 98.52 3.16 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.276 1.43 . . . . 0.0 109.651 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.23 170.31 10.39 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.37 32.4 57.98 Favored Glycine 0 CA--C 1.525 0.659 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.66 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 pp -139.35 171.2 14.62 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 126.005 1.722 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 p -113.46 -179.79 3.74 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -162.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.3 mt -56.61 -39.86 74.33 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.401 0.681 . . . . 0.0 112.432 175.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.1 m -66.07 -30.47 70.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.997 0.919 . . . . 0.0 112.997 175.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -82.33 -34.88 28.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.587 1.155 . . . . 0.0 111.371 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.14 -46.79 82.4 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.384 1.074 . . . . 0.0 111.048 165.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.46 -29.87 68.11 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.781 0.832 . . . . 0.0 113.201 175.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.3 t -68.06 -55.41 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 118.575 0.625 . . . . 0.0 109.889 169.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.07 -42.89 95.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.242 0.928 . . . . 0.0 112.85 -177.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -69.63 -38.43 77.2 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.301 1.04 . . . . 0.0 112.829 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.79 -20.46 24.09 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 115.64 1.016 . . . . 0.0 115.64 -169.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -104.77 -24.9 12.85 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.682 1.241 . . . . 0.0 113.391 -172.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 83.3 m -68.29 -33.17 73.86 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.254 1.021 . . . . 0.0 112.444 -170.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.54 -0.26 0.06 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.198 2.599 . . . . 0.0 117.455 176.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -72.3 146.99 46.81 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.169 0.895 . . . . 0.0 110.481 162.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -66.81 116.11 7.33 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.875 0.47 . . . . 0.0 111.247 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.38 128.14 32.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 123.989 0.916 . . . . 0.0 111.244 176.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.3 mm -112.69 -49.77 5.75 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 127.604 2.362 . . . . 0.0 108.568 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -138.32 154.85 48.98 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.842 0.83 . . . . 0.0 111.299 169.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 tt -157.9 132.18 8.21 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.428 1.491 . . . . 0.0 108.302 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.431 HH21 ' CG ' ' A' ' 53' ' ' ASP . 25.1 mmm-85 -125.18 142.5 51.46 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 126.541 1.937 . . . . 0.0 108.645 164.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 tp -133.63 127.52 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.76 2.024 . . . . 0.0 105.695 169.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.431 ' CG ' HH21 ' A' ' 51' ' ' ARG . 1.8 m-20 -132.49 127.04 34.37 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.128 1.371 . . . . 0.0 107.8 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -63.32 121.7 14.38 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 121.144 -0.972 . . . . 0.0 108.51 161.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.8 101.95 12.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 122.266 1.031 . . . . 0.0 109.819 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.1 tp . . . . . 0 C--O 1.249 1.076 0 C-N-CA 130.496 3.518 . . . . 0.0 114.515 -164.491 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.4 tpt . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.5 m -92.62 176.33 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 121.786 0.803 . . . . 0.0 111.688 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.476 ' OE1' ' HE2' ' B' ' 29' ' ' LYS . 53.2 tp60 -69.42 104.44 2.29 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.889 1.276 . . . . 0.0 110.024 166.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -111.43 -78.11 0.59 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 165.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -133.15 -169.54 2.29 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.058 2.143 . . . . 0.0 107.109 162.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -63.38 70.69 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 122.312 1.054 . . . . 0.0 111.61 159.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.26 140.86 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 125.984 1.713 . . . . 0.0 108.35 167.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -67.94 160.28 28.88 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -173.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.6 t 73.34 170.07 0.31 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.463 1.905 . . . . 0.0 111.425 -161.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -49.1 143.05 6.16 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.708 1.603 . . . . 0.0 114.099 -161.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -112.63 115.65 28.93 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 128.238 2.615 . . . . 0.0 109.311 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.0 t -102.02 124.16 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 C-N-CA 124.401 1.081 . . . . 0.0 108.709 171.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 47.8 m -121.31 95.8 4.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 32.4 ttp -103.22 158.88 16.01 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.331 0.653 . . . . 0.0 111.205 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.87 119.99 8.85 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.036 1.334 . . . . 0.0 110.416 -171.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -117.32 172.58 7.21 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.546 1.538 . . . . 0.0 110.659 -173.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -122.33 136.17 54.85 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.959 0.904 . . . . 0.0 111.609 172.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -82.17 164.84 21.0 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.101 1.76 . . . . 0.0 111.911 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -60.73 -31.18 70.5 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.838 1.255 . . . . 0.0 112.923 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -73.54 -9.78 59.04 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.382 -0.824 . . . . 0.0 112.788 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.74 0.7 66.37 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.393 1.473 . . . . 0.0 114.204 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -80.51 148.55 30.38 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.468 1.134 . . . . 0.0 111.134 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -106.61 138.97 41.81 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 123.59 0.756 . . . . 0.0 110.35 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -140.55 150.26 43.45 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.87 0.843 . . . . 0.0 112.32 -173.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -94.06 156.02 16.8 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.554 1.142 . . . . 0.0 113.087 -173.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -136.53 82.41 1.94 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.352 2.661 . . . . 0.0 108.091 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -79.44 120.29 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.342 1.457 . . . . 0.0 110.264 172.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -140.15 95.76 2.94 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.361 1.464 . . . . 0.0 110.484 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.476 ' HE2' ' OE1' ' B' ' 3' ' ' GLN . 57.7 mttm -100.97 165.32 11.39 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.163 0.985 . . . . 0.0 111.902 -173.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.07 61.72 6.3 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.873 1.225 . . . . 0.0 112.849 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pp -140.34 -160.37 1.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.446 1.099 . . . . 0.0 110.584 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.5 p -141.7 179.87 6.58 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.693 -1.254 . . . . 0.0 113.277 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.0 -36.58 84.46 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 94.7 p -68.53 -23.31 64.51 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 172.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -82.55 -36.78 25.98 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.381 1.072 . . . . 0.0 110.926 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -57.93 -41.79 83.48 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.722 -0.611 . . . . 0.0 111.384 167.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.07 -29.92 68.87 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 174.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.53 -52.28 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 118.863 0.756 . . . . 0.0 109.606 170.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 tp -59.87 -51.9 67.73 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.107 0.412 . . . . 0.0 111.242 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.81 -26.36 68.59 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.732 0.813 . . . . 0.0 113.029 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.76 -21.21 48.0 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.188 -0.785 . . . . 0.0 114.935 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -119.23 -27.75 5.58 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.836 1.318 . . . . 0.0 113.695 -173.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.3 m -124.01 -3.94 8.05 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.229 1.412 . . . . 0.0 112.086 -160.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.8 37.19 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.384 1.873 . . . . 0.0 114.044 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -73.49 86.83 1.57 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.472 1.909 . . . . 0.0 111.809 -169.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 61.43 68.78 0.69 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.365 1.866 . . . . 0.0 110.752 -167.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.32 125.47 27.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 126.059 1.744 . . . . 0.0 112.009 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.5 mm -107.68 -41.69 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 128.143 2.577 . . . . 0.0 109.769 -175.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -154.75 165.41 36.69 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 111.577 159.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -146.91 157.59 43.68 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 122.04 0.924 . . . . 0.0 111.425 160.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -117.11 144.32 44.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.827 2.051 . . . . 0.0 108.832 167.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.9 tp -134.25 123.59 24.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.212 1.805 . . . . 0.0 107.523 165.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -139.33 118.06 12.33 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.099 0.959 . . . . 0.0 109.046 -170.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.464 ' HZ2' ' C ' ' B' ' 56' ' ' LEU . 24.6 tttm -69.04 96.52 0.8 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.411 0.624 . . . . 0.0 110.699 175.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.69 143.39 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 160.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.464 ' C ' ' HZ2' ' B' ' 54' ' ' LYS . 25.8 tp . . . . . 0 C--O 1.25 1.123 0 C-N-CA 128.094 2.558 . . . . 0.0 113.482 -169.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.467 0.381 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.413 ' C ' ' H ' ' A' ' 4' ' ' ASN . 21.6 t 63.1 86.36 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.198 1.399 . . . . 0.0 109.236 -160.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -77.43 31.62 0.15 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.162 1.785 . . . . 0.0 114.458 -166.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.413 ' H ' ' C ' ' A' ' 2' ' ' VAL . 18.0 t-20 -134.31 -7.43 2.6 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.113 2.565 . . . . 0.0 112.14 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -134.2 -41.69 0.81 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.957 1.303 . . . . 0.0 111.214 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -131.04 67.52 1.51 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.371 1.469 . . . . 0.0 109.462 170.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.23 155.27 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.175 165.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.45 147.03 46.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 123.143 1.449 . . . . 0.0 112.039 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 m 144.6 -175.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.98 2.912 . . . . 0.0 109.437 -150.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -94.75 158.23 15.6 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.604 1.192 . . . . 0.0 109.863 158.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.542 ' CG ' HH12 ' A' ' 51' ' ' ARG . 1.7 t0 -107.51 137.71 45.05 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 130.871 3.668 . . . . 0.0 105.714 163.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -130.93 89.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 C-N-CA 127.209 2.204 . . . . 0.0 107.154 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.2 m -96.38 101.62 13.28 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.525 1.13 . . . . 0.0 108.296 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ttp -118.71 161.02 20.79 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.85 0.86 . . . . 0.0 109.868 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pp -152.15 158.82 43.46 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 122.652 1.215 . . . . 0.0 112.136 163.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.96 171.09 14.97 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 127.195 2.198 . . . . 0.0 110.039 -169.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -119.86 132.11 55.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.757 0.823 . . . . 0.0 110.682 173.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.24 161.38 29.38 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.292 1.037 . . . . 0.0 111.863 174.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.87 -23.71 66.46 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 173.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.21 -2.18 23.72 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.035 0.934 . . . . 0.0 112.92 170.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.97 6.08 76.2 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.397 1.475 . . . . 0.0 114.799 173.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -98.72 150.24 22.01 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.985 0.914 . . . . 0.0 111.475 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -88.58 148.55 24.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.691 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -143.41 143.31 31.57 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 124.049 0.939 . . . . 0.0 110.662 173.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -83.62 153.42 24.29 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 122.454 1.121 . . . . 0.0 112.68 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -129.52 69.73 1.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 128.29 2.636 . . . . 0.0 106.427 164.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -86.39 118.58 25.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.578 1.551 . . . . 0.0 109.564 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -134.11 146.49 50.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 125.271 1.428 . . . . 0.0 108.865 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.63 168.25 23.31 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.27 0.628 . . . . 0.0 110.109 164.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.12 62.27 Favored Glycine 0 CA--C 1.533 1.208 0 O-C-N 123.656 0.597 . . . . 0.0 112.89 -173.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -127.34 -176.95 3.89 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.868 1.667 . . . . 0.0 110.779 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 p -131.67 177.6 7.39 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.431 0.692 . . . . 0.0 112.819 -171.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.53 -33.92 75.88 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.515 -0.74 . . . . 0.0 112.381 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.0 m -71.36 -19.02 62.34 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.909 0.884 . . . . 0.0 113.041 174.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -89.32 -34.77 16.44 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.524 1.13 . . . . 0.0 110.876 174.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.65 -42.1 92.04 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.428 0.691 . . . . 0.0 112.018 166.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -53.43 -38.56 63.62 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.962 1.305 . . . . 0.0 111.794 173.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.2 t -71.35 -49.06 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.183 0.993 . . . . 0.0 111.19 174.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.6 tp -58.11 -50.64 72.77 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.88 0.763 . . . . 0.0 111.75 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -63.44 -37.09 85.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.933 0.493 . . . . 0.0 111.65 175.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.81 -16.16 80.36 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.481 0.952 . . . . 0.0 115.481 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -114.15 -31.3 6.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.936 1.368 . . . . 0.0 113.245 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.3 m -124.48 -9.59 7.43 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -159.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.96 49.0 0.23 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.722 1.609 . . . . 0.0 114.359 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.67 -68.92 0.17 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.153 2.181 . . . . 0.0 112.859 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -131.96 82.08 2.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.157 1.383 . . . . 0.0 109.388 171.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.09 145.02 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 113.59 -1.641 . . . . 0.0 110.319 -170.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 mm -125.58 -60.97 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 C-N-CA 124.975 1.31 . . . . 0.0 108.481 -169.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -135.93 152.28 50.83 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.685 1.194 . . . . 0.0 111.137 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 tt -151.72 128.73 11.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.666 1.586 . . . . 0.0 108.278 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.542 HH12 ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -138.55 88.76 2.32 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 125.685 1.594 . . . . 0.0 109.017 178.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -83.91 136.26 34.16 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.759 0.824 . . . . 0.0 109.307 166.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -151.83 118.55 5.75 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.152 1.381 . . . . 0.0 110.497 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -59.59 115.48 3.34 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.502 -0.749 . . . . 0.0 110.231 165.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.2 149.68 10.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 122.699 1.238 . . . . 0.0 110.1 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.6 tp . . . . . 0 C--O 1.25 1.095 0 C-N-CA 128.354 2.662 . . . . 0.0 111.222 179.291 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ttm . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 m -120.24 -10.39 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 125.161 1.385 . . . . 0.0 113.391 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 28.79 83.58 0.01 OUTLIER 'General case' 0 C--N 1.342 0.245 0 C-N-CA 128.113 2.565 . . . . 0.0 114.3 170.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -72.18 -64.23 0.98 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.537 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' B' ' 7' ' ' VAL . 24.9 t0 -152.79 81.54 1.22 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.9 0.88 . . . . 0.0 109.403 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.453 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 18.1 t80 58.12 -9.1 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.963 2.505 . . . . 0.0 114.833 -166.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.478 ' H ' ' C ' ' B' ' 5' ' ' ASP . 56.1 t -92.54 118.56 38.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 128.706 2.802 . . . . 0.0 109.368 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -142.79 -83.25 0.18 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.767 0.827 . . . . 0.0 110.382 162.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -145.64 179.33 7.5 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 127.887 2.475 . . . . 0.0 107.69 -173.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -36.35 122.54 0.75 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.066 1.746 . . . . 0.0 113.567 -169.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.02 125.38 29.31 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.517 1.127 . . . . 0.0 108.049 165.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.36 130.95 67.76 Favored 'Isoleucine or valine' 0 C--O 1.231 0.079 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 159.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 97.1 m -133.09 93.43 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.3 ttp -112.87 159.91 18.57 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.501 1.12 . . . . 0.0 111.002 -171.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -150.76 120.89 7.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.091 0.956 . . . . 0.0 110.823 -170.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -119.89 174.19 6.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.561 1.944 . . . . 0.0 110.691 -172.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -127.26 124.8 39.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 111.385 -176.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -87.29 176.92 7.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.461 1.504 . . . . 0.0 112.27 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -64.2 -23.37 67.29 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -90.21 -7.33 53.82 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.065 0.848 . . . . 0.0 111.573 173.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.42 19.38 79.47 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.19 0.9 . . . . 0.0 113.425 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -73.7 -30.81 63.08 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.349 1.075 . . . . 0.0 112.555 -173.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 77.39 138.91 0.07 Allowed 'General case' 0 C--O 1.233 0.198 0 C-N-CA 129.932 3.293 . . . . 0.0 111.986 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -134.18 147.34 50.74 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 122.361 1.077 . . . . 0.0 111.975 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -116.01 132.16 56.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.953 1.701 . . . . 0.0 110.401 -161.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -128.09 75.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 126.645 1.978 . . . . 0.0 109.008 -169.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -78.15 121.28 24.11 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.195 1.398 . . . . 0.0 110.331 167.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -145.73 93.28 2.33 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.663 1.985 . . . . 0.0 109.836 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' B' ' 6' ' ' PHE . 64.8 tttt -106.22 160.7 15.14 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.237 1.015 . . . . 0.0 111.018 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.81 36.58 18.71 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.993 -0.337 . . . . 0.0 112.656 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 pp -133.44 -165.57 1.64 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.335 1.454 . . . . 0.0 110.609 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.4 p -140.46 -177.67 5.15 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.092 -1.005 . . . . 0.0 113.063 173.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.4 mt -57.72 -36.25 71.77 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -166.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 20.0 p -69.41 -30.17 68.07 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.38 -0.825 . . . . 0.0 113.035 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -78.06 -31.8 50.47 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.608 1.163 . . . . 0.0 112.389 172.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -58.84 -47.02 86.32 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.513 -0.742 . . . . 0.0 110.955 165.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.04 -28.48 69.09 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.45 -51.74 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 119.08 0.855 . . . . 0.0 110.861 169.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.95 -49.77 76.36 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.407 0.683 . . . . 0.0 111.973 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -60.45 -45.47 93.58 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.131 1.373 . . . . 0.0 111.639 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.14 -26.57 72.5 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 118.463 -1.187 . . . . 0.0 114.835 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -96.06 -12.79 24.33 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.96 1.38 . . . . 0.0 113.89 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 81.1 p -119.47 -105.54 0.39 Allowed 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.28 0.491 . . . . 0.0 110.754 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 48.49 14.59 0.07 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.051 2.14 . . . . 0.0 114.903 -167.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.04 99.89 0.39 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.817 2.447 . . . . 0.0 112.419 -170.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 47.89 44.78 18.59 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.159 1.383 . . . . 0.0 111.332 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.6 tt -53.06 149.29 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 125.727 1.611 . . . . 0.0 114.457 -166.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.1 mm -124.02 -56.59 2.38 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 C-N-CA 127.08 2.152 . . . . 0.0 108.716 -170.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -135.55 156.31 49.09 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.588 0.631 . . . . 0.0 111.474 173.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.4 tp -150.03 105.87 3.43 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.049 1.74 . . . . 0.0 107.501 169.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -98.18 140.86 31.84 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.803 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 tt -139.47 143.49 37.56 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.83 0.852 . . . . 0.0 109.563 166.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -149.62 117.21 6.17 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.694 1.198 . . . . 0.0 109.451 -175.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -63.56 153.44 35.76 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 122.704 1.24 . . . . 0.0 112.123 175.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -120.59 157.63 23.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.725 -1.58 . . . . 0.0 107.408 172.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 tp . . . . . 0 C--O 1.251 1.14 0 C-N-CA 129.074 2.95 . . . . 0.0 114.313 -175.788 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tmm? . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 119.092 -0.48 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.14 101.42 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 CA-C-O 121.89 0.852 . . . . 0.0 109.042 174.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -94.04 85.15 4.64 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.361 1.464 . . . . 0.0 108.892 -173.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -137.71 -79.14 0.37 Allowed 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -122.15 56.36 1.1 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.969 0.89 . . . . 0.0 111.465 -161.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 46.02 55.55 6.98 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 114.46 -1.246 . . . . 0.0 111.38 -169.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.6 t -76.28 134.76 28.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.184 170.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -59.35 146.08 41.04 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 123.714 1.721 . . . . 0.0 115.211 -169.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.0 m 137.6 -170.51 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.24 2.616 . . . . 0.0 108.244 -143.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -92.0 147.47 22.93 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.242 1.02 . . . . 0.0 110.229 162.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -101.04 120.23 39.9 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 128.522 2.729 . . . . 0.0 107.731 166.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.7 t -124.94 101.8 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 124.343 1.057 . . . . 0.0 110.022 -174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.0 m -102.19 94.35 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.01 1.324 . . . . 0.0 108.631 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.0 ttm -96.7 160.67 14.25 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.459 0.704 . . . . 0.0 110.423 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.64 119.32 8.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.094 0.958 . . . . 0.0 109.878 -176.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -116.23 177.1 4.81 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.221 1.409 . . . . 0.0 110.513 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -131.35 136.22 47.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.047 0.939 . . . . 0.0 111.011 176.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -77.1 162.69 27.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 124.781 1.233 . . . . 0.0 111.503 173.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.43 -27.27 68.99 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.62 -7.44 54.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.474 1.109 . . . . 0.0 112.796 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.39 2.05 66.01 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.929 1.252 . . . . 0.0 114.072 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -70.9 118.95 14.33 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 118.451 1.126 . . . . 0.0 110.36 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -83.76 134.39 34.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.404 0.282 . . . . 0.0 110.682 173.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -139.9 144.74 37.32 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 122.275 1.036 . . . . 0.0 111.901 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -83.82 154.36 23.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.32 -1.309 . . . . 0.0 112.653 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -134.3 83.99 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 127.582 2.353 . . . . 0.0 107.956 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -74.2 130.01 38.93 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.629 1.171 . . . . 0.0 110.943 172.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -138.98 72.8 1.41 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 122.496 1.141 . . . . 0.0 110.728 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -81.83 57.42 3.43 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.872 2.069 . . . . 0.0 112.213 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.54 50.08 0.02 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 115.677 1.031 . . . . 0.0 115.677 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp -128.28 -176.73 3.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.527 0.731 . . . . 0.0 111.357 172.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.9 p -114.78 175.44 5.49 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.278 -0.889 . . . . 0.0 112.949 -173.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.8 mt -62.1 -33.05 73.73 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.7 m -67.61 -34.62 77.37 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 171.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -78.23 -30.77 48.96 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.719 0.807 . . . . 0.0 111.651 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -61.97 -42.71 99.44 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.584 0.754 . . . . 0.0 111.265 168.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.54 -30.61 71.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.148 0.885 . . . . 0.0 112.885 174.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -67.86 -49.98 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 121.712 -0.617 . . . . 0.0 110.731 168.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.6 -49.59 74.45 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.68 0.792 . . . . 0.0 111.594 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -69.58 -17.14 63.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.724 1.209 . . . . 0.0 113.511 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.78 -37.92 4.57 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.274 0.94 . . . . 0.0 113.935 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -102.57 -30.44 10.96 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.587 1.155 . . . . 0.0 113.197 -171.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.8 m -117.4 -10.59 10.68 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.663 0.785 . . . . 0.0 112.549 -163.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.42 37.42 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.593 1.957 . . . . 0.0 114.834 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.73 94.06 0.99 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.86 1.664 . . . . 0.0 111.92 -172.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 55.09 72.67 0.46 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 126.173 1.789 . . . . 0.0 111.906 -167.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.74 152.5 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 114.429 -1.26 . . . . 0.0 113.701 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mm -129.39 -58.33 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 126.894 2.077 . . . . 0.0 108.086 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -130.78 160.96 32.83 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.093 0.949 . . . . 0.0 112.738 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 tp -151.19 126.24 9.83 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.003 1.721 . . . . 0.0 109.456 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -117.73 135.26 54.15 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.683 1.593 . . . . 0.0 107.936 163.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 tt -138.53 135.19 34.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.66 0.784 . . . . 0.0 108.988 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -149.82 116.32 5.81 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 123.556 0.742 . . . . 0.0 109.394 -165.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -62.01 107.34 0.85 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.875 0.761 . . . . 0.0 110.287 167.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.41 146.9 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 124.95 1.3 . . . . 0.0 107.814 167.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.6 tp . . . . . 0 C--O 1.25 1.105 0 CA-C-O 115.205 -2.331 . . . . 0.0 113.345 -167.832 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 m 46.51 29.03 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 129.472 3.109 . . . . 0.0 116.903 176.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -102.1 74.9 1.47 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 172.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -142.58 7.6 1.71 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -166.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -114.4 -46.62 2.96 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.896 -0.502 . . . . 0.0 112.026 -164.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.41 5.16 25.12 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 124.462 1.105 . . . . 0.0 112.71 176.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 p -57.44 118.31 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 127.705 2.402 . . . . 0.0 113.775 -166.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -151.44 -69.71 0.17 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.261 1.025 . . . . 0.0 112.67 175.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -130.97 175.47 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 127.137 2.175 . . . . 0.0 110.824 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -43.1 133.34 3.88 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 125.635 1.574 . . . . 0.0 113.37 -164.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.32 104.99 16.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.697 1.599 . . . . 0.0 109.538 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -102.08 133.94 44.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 C-N-CA 123.774 0.83 . . . . 0.0 109.356 172.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 35.2 m -136.34 102.38 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.516 1.126 . . . . 0.0 108.08 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 56.7 ttp -120.94 159.96 24.48 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.072 0.949 . . . . 0.0 109.521 -174.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -149.33 156.2 41.7 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 122.968 1.366 . . . . 0.0 111.805 170.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -129.75 162.28 28.77 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 127.425 2.29 . . . . 0.0 109.276 -167.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -109.72 139.97 44.14 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.471 0.708 . . . . 0.0 109.93 168.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -157.34 -179.61 8.35 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.651 1.181 . . . . 0.0 110.592 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 32.0 t70 40.19 76.14 0.07 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.336 1.855 . . . . 0.0 113.751 162.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 t0 74.32 3.69 4.38 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.424 2.289 . . . . 0.0 114.087 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.53 10.32 31.43 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.85 0.738 . . . . 0.0 113.551 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -73.14 142.42 47.46 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.26 1.03 . . . . 0.0 110.111 172.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -90.09 142.3 27.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.086 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -129.63 153.52 48.02 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.679 0.752 . . . . 0.0 110.912 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -118.94 142.46 47.75 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.746 1.218 . . . . 0.0 111.475 -158.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -137.8 77.46 1.63 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.698 1.999 . . . . 0.0 109.306 -168.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -82.98 122.15 27.93 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.808 1.643 . . . . 0.0 110.316 170.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -148.09 88.06 1.64 Allowed 'General case' 0 C--O 1.231 0.105 0 C-N-CA 125.914 1.686 . . . . 0.0 110.353 -173.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.2 169.52 10.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.004 172.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.2 34.93 57.57 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.41 0.529 . . . . 0.0 113.403 172.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -131.22 -164.08 1.4 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.553 1.141 . . . . 0.0 110.146 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 19.1 p -140.3 -179.73 6.17 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.036 -1.04 . . . . 0.0 112.86 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.48 -36.14 75.45 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -173.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 66.5 m -69.7 -21.97 63.45 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 174.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -86.34 -34.38 20.29 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.659 1.183 . . . . 0.0 111.065 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -62.14 -41.84 98.67 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.538 -0.726 . . . . 0.0 112.062 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -53.24 -40.74 64.78 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.752 1.221 . . . . 0.0 111.814 172.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.57 -50.36 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 123.303 0.641 . . . . 0.0 111.636 172.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.66 -50.18 72.86 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.566 0.746 . . . . 0.0 111.818 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -59.88 -62.91 1.52 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.038 0.935 . . . . 0.0 110.566 172.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.5 -24.09 61.29 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.42 0.928 . . . . 0.0 115.42 -171.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -89.19 -16.78 30.51 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.831 1.315 . . . . 0.0 113.21 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -128.83 -21.54 3.36 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -160.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.56 25.57 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 -165.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.2 -37.79 75.48 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.221 1.409 . . . . 0.0 114.337 -172.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -144.47 49.8 1.31 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 122.945 1.355 . . . . 0.0 109.798 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.69 138.29 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.208 -171.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.7 mm -118.42 -51.86 4.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 125.015 1.326 . . . . 0.0 110.611 -170.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -136.94 147.96 46.68 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 123.966 0.907 . . . . 0.0 111.912 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.1 tt -152.26 134.72 15.26 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.997 1.319 . . . . 0.0 109.963 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.409 HH22 ' CG ' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -130.08 133.09 46.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 127.149 2.18 . . . . 0.0 109.073 174.79 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 tt -143.95 142.86 30.97 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.217 1.407 . . . . 0.0 110.092 168.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.409 ' CG ' HH22 ' B' ' 51' ' ' ARG . 41.7 p30 -142.32 160.4 40.33 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.517 0.675 . . . . 0.0 112.492 149.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.25 122.9 19.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.958 -1.019 . . . . 0.0 108.477 153.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -75.59 144.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.794 -170.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.25 1.105 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -167.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.6 tpp . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.1 m -68.97 -21.43 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -71.31 83.53 0.77 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.679 1.592 . . . . 0.0 110.553 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -90.05 -54.97 3.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.229 1.012 . . . . 0.0 111.194 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.34 -83.96 0.65 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.109 1.764 . . . . 0.0 110.205 -176.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -130.3 28.51 4.97 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.454 1.901 . . . . 0.0 111.736 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.8 t -67.23 80.5 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.589 1.956 . . . . 0.0 112.933 -162.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -154.28 -66.22 0.14 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.284 1.434 . . . . 0.0 111.665 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.2 t -163.66 -178.95 6.08 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.423 1.889 . . . . 0.0 109.747 -174.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -43.05 132.5 4.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.516 1.526 . . . . 0.0 112.849 -168.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -100.73 115.87 31.29 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.227 2.611 . . . . 0.0 108.932 171.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.24 98.12 6.55 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.086 0 C-N-CA 125.082 1.353 . . . . 0.0 109.279 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.2 m -91.42 99.42 12.38 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 170.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.8 ttp -103.04 162.42 12.95 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.181 0.592 . . . . 0.0 110.753 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.11 118.83 6.57 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.633 0.773 . . . . 0.0 111.088 -169.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -117.79 174.66 6.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.644 1.578 . . . . 0.0 110.587 -176.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -122.32 129.73 52.45 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.246 1.018 . . . . 0.0 110.826 172.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.35 161.02 30.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.424 1.489 . . . . 0.0 111.755 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -62.09 -21.47 65.0 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -76.38 -14.54 60.07 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 121.252 -0.905 . . . . 0.0 113.013 170.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.58 5.62 53.79 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 127.103 2.287 . . . . 0.0 114.062 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -81.38 125.82 30.87 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.532 1.533 . . . . 0.0 110.123 -177.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -80.24 137.51 36.65 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.278 -0.264 . . . . 0.0 110.641 172.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.77 144.67 35.61 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 121.72 0.771 . . . . 0.0 112.154 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -83.79 151.94 24.91 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.495 1.118 . . . . 0.0 112.324 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -133.55 86.21 2.27 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.291 2.636 . . . . 0.0 107.869 171.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -77.25 118.46 19.77 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.101 1.36 . . . . 0.0 110.399 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -136.49 98.04 3.72 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.937 1.295 . . . . 0.0 110.401 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 166.01 15.39 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.776 1.23 . . . . 0.0 113.042 -171.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.45 42.26 95.93 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.583 0.611 . . . . 0.0 111.848 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 pp -138.85 -164.49 1.66 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.149 0.979 . . . . 0.0 110.59 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 p -138.38 179.13 6.64 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.504 -1.373 . . . . 0.0 113.462 -174.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.32 -37.99 82.33 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.34 -0.85 . . . . 0.0 112.954 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.6 m -67.63 -25.72 65.88 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.553 -0.717 . . . . 0.0 112.923 174.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -84.07 -33.81 24.34 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.703 1.201 . . . . 0.0 110.92 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -59.28 -42.53 91.46 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.224 -0.923 . . . . 0.0 111.403 166.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -59.79 -27.69 66.79 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.97 -50.6 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.257 0.623 . . . . 0.0 110.49 169.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.5 tp -55.31 -49.98 70.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.328 0.651 . . . . 0.0 111.361 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -62.11 -34.85 77.1 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.433 1.093 . . . . 0.0 112.6 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.89 -23.84 58.97 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 119.237 -0.757 . . . . 0.0 114.834 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -111.95 -27.23 8.52 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.588 1.194 . . . . 0.0 113.709 -171.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 m -129.4 -6.85 4.74 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.641 0.776 . . . . 0.0 112.69 -160.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.59 25.18 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -71.07 107.01 3.92 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.777 2.031 . . . . 0.0 111.724 -174.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 57.93 58.62 3.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.837 1.655 . . . . 0.0 112.129 -171.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 tp -58.65 128.31 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 127.777 2.431 . . . . 0.0 113.155 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.5 mm -119.65 -60.51 2.55 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 C-N-CA 128.372 2.669 . . . . 0.0 107.449 -177.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -133.11 159.06 41.21 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.247 1.022 . . . . 0.0 112.325 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 tt -152.28 126.6 9.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.331 1.453 . . . . 0.0 108.118 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.13 89.46 2.92 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 125.828 1.651 . . . . 0.0 108.867 174.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.9 tt -89.17 136.1 33.2 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 169.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -148.91 113.37 5.3 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.329 1.452 . . . . 0.0 110.377 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -54.79 121.62 8.96 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.285 1.034 . . . . 0.0 110.538 168.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.86 153.61 6.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 167.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.4 tp . . . . . 0 C--O 1.247 0.973 0 C-N-CA 128.463 2.705 . . . . 0.0 112.308 179.855 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.543 ' HA ' ' OD2' ' B' ' 5' ' ' ASP . 36.1 mtt . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.076 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.9 t -145.32 -57.56 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 O-C-N 124.911 1.382 . . . . 0.0 109.955 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -141.47 144.12 34.21 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.182 1.393 . . . . 0.0 110.357 -173.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 30.7 t30 61.84 -20.07 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.797 2.439 . . . . 0.0 115.546 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . 0.543 ' OD2' ' HA ' ' B' ' 1' ' ' MET . 8.9 p30 -87.43 -37.91 16.6 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.014 1.726 . . . . 0.0 111.873 163.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -61.19 90.81 0.02 OUTLIER 'General case' 0 C--O 1.234 0.256 0 C-N-CA 124.588 1.155 . . . . 0.0 108.308 137.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -108.03 150.32 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.413 1.085 . . . . 0.0 112.424 -164.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.42 ' OD2' ' OG ' ' B' ' 9' ' ' SER . 16.7 t70 64.36 -77.11 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.196 2.199 . . . . 0.0 115.184 166.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.42 ' OG ' ' OD2' ' B' ' 8' ' ' ASP . 61.5 m -135.84 -176.36 4.27 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.527 1.931 . . . . 0.0 111.46 -165.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -47.74 123.12 5.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.343 1.457 . . . . 0.0 111.662 -174.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -81.0 134.22 35.64 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 163.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.13 134.63 62.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 C-N-CA 123.894 0.877 . . . . 0.0 108.768 167.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 51.2 m -133.38 95.77 3.58 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.522 1.929 . . . . 0.0 106.856 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 49.8 ttp -110.6 157.74 19.34 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.875 0.87 . . . . 0.0 109.853 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 pp -148.76 146.99 28.3 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 122.593 1.187 . . . . 0.0 112.134 171.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -119.03 175.88 5.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.633 1.973 . . . . 0.0 109.087 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -119.86 146.89 45.33 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.817 0.847 . . . . 0.0 112.754 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -143.97 175.23 10.18 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.764 1.625 . . . . 0.0 110.722 175.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 27.9 t70 30.9 72.19 0.07 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 128.471 2.708 . . . . 0.0 115.26 159.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 t70 77.83 -3.52 2.37 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.965 2.506 . . . . 0.0 114.162 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.75 6.22 3.74 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.729 1.157 . . . . 0.0 114.267 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -69.42 106.99 3.15 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.305 1.053 . . . . 0.0 109.813 174.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.59 142.36 35.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.53 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -134.34 145.63 49.19 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.969 0.907 . . . . 0.0 110.973 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -104.31 154.22 20.07 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 122.52 1.152 . . . . 0.0 113.385 -162.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -135.94 76.44 1.61 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 128.986 2.915 . . . . 0.0 108.055 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.84 124.65 27.25 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.253 1.421 . . . . 0.0 109.619 168.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -142.7 86.55 1.95 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.765 1.626 . . . . 0.0 109.378 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -83.3 153.53 24.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.168 1.387 . . . . 0.0 111.736 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.53 53.58 44.86 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.562 1.077 . . . . 0.0 113.853 169.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pp -133.09 -170.69 2.51 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.087 0.955 . . . . 0.0 110.751 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 13.1 p -127.75 176.21 7.72 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 120.887 -1.133 . . . . 0.0 113.113 -175.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.25 -33.66 76.33 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 120.745 -1.222 . . . . 0.0 112.665 -172.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.3 m -66.59 -27.6 67.85 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -81.8 -35.04 29.95 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.808 1.243 . . . . 0.0 110.988 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.04 -42.43 98.45 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.448 -0.783 . . . . 0.0 111.69 169.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.62 -37.79 68.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.61 0.764 . . . . 0.0 113.009 173.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.4 t -65.19 -50.1 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.011 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.67 -55.02 40.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.143 0.977 . . . . 0.0 111.673 178.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -62.1 -29.7 70.5 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.143 0.977 . . . . 0.0 112.778 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.72 -17.26 68.49 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-O 118.438 -1.201 . . . . 0.0 115.364 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -120.91 -23.35 5.92 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.455 1.627 . . . . 0.0 114.608 -173.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.7 m -127.83 -10.04 5.5 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -162.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.59 47.29 0.17 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.033 1.733 . . . . 0.0 113.111 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.85 -67.6 0.42 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.242 1.817 . . . . 0.0 113.445 -166.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -120.04 70.61 0.88 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.696 1.199 . . . . 0.0 107.97 171.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.55 125.84 39.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 124.827 1.251 . . . . 0.0 112.694 -163.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 47.9 mm -109.35 -66.01 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 127.206 2.202 . . . . 0.0 107.549 -176.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -129.7 146.88 51.44 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.205 0.911 . . . . 0.0 111.315 -173.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 tt -149.83 110.94 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.111 1.364 . . . . 0.0 108.67 -174.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.28 121.85 45.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.497 1.519 . . . . 0.0 108.997 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tt -120.69 139.32 53.21 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.382 1.073 . . . . 0.0 108.531 168.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -149.61 112.35 4.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.57 1.148 . . . . 0.0 109.7 -173.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -53.86 137.11 39.39 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.018 0.927 . . . . 0.0 113.2 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 18.9 t -116.87 157.86 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 149.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.8 tp . . . . . 0 C--O 1.25 1.119 0 C-N-CA 126.321 1.848 . . . . 0.0 110.503 -174.86 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ttt . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.9 t -63.8 -42.7 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 120.411 1.46 . . . . 0.0 110.59 -175.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.74 35.99 0.07 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.576 2.35 . . . . 0.0 114.453 174.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -133.62 -72.78 0.49 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.488 1.515 . . . . 0.0 109.82 169.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -141.74 41.27 1.7 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.893 1.277 . . . . 0.0 109.521 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 6.8 m-85 60.66 15.64 5.94 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.087 2.155 . . . . 0.0 114.444 -174.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.68 89.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 127.167 2.187 . . . . 0.0 112.492 -167.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -155.25 -71.37 0.12 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.712 1.605 . . . . 0.0 109.642 162.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -159.17 -174.1 4.55 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.986 2.114 . . . . 0.0 108.958 -176.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -39.79 129.24 2.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.162 1.785 . . . . 0.0 114.646 -163.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -92.2 113.08 25.26 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 126.088 1.755 . . . . 0.0 107.901 171.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -97.57 135.48 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 122.156 0.979 . . . . 0.0 109.016 160.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.7 m -134.47 94.91 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp -113.46 164.36 13.72 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.045 0.938 . . . . 0.0 110.51 -172.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.64 123.68 6.91 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.123 0.569 . . . . 0.0 110.61 -169.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -122.72 173.07 7.97 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.486 1.514 . . . . 0.0 111.391 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -125.44 133.58 52.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.259 1.023 . . . . 0.0 110.269 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -78.61 164.68 24.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.508 1.523 . . . . 0.0 112.055 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.03 -32.26 66.0 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.9 1.68 . . . . 0.0 112.602 172.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -72.99 -1.49 17.29 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.177 0.991 . . . . 0.0 112.522 173.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.16 2.18 90.49 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 125.41 1.481 . . . . 0.0 113.687 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.32 126.63 31.39 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 125.225 1.41 . . . . 0.0 110.71 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -87.06 137.22 32.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.585 0.354 . . . . 0.0 110.49 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -135.86 144.61 45.72 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.848 0.832 . . . . 0.0 111.202 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -85.32 153.76 22.35 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.921 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -134.71 75.5 1.58 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 128.097 2.559 . . . . 0.0 107.957 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -74.45 120.79 20.5 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.087 1.355 . . . . 0.0 110.035 169.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -144.11 98.32 3.2 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.899 0.879 . . . . 0.0 109.941 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HD3' ' CD1' ' A' ' 6' ' ' PHE . 17.2 mttm -118.17 163.45 16.64 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.929 0.892 . . . . 0.0 111.538 -169.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.93 36.53 73.58 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 116.383 -0.371 . . . . 0.0 112.194 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -130.82 -157.11 0.8 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.09 0.956 . . . . 0.0 110.622 -175.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.5 p -142.67 179.27 7.08 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 120.884 -1.135 . . . . 0.0 113.086 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.46 -34.91 78.79 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.314 -0.866 . . . . 0.0 112.695 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.9 m -66.42 -28.4 68.59 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.758 0.423 . . . . 0.0 111.753 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -80.09 -33.96 38.38 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.406 1.082 . . . . 0.0 111.546 175.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -62.5 -42.36 99.45 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.34 -0.85 . . . . 0.0 111.768 168.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.5 -35.51 70.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.003 0.921 . . . . 0.0 112.288 173.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.52 -52.83 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.193 0.597 . . . . 0.0 110.147 171.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.8 tp -55.87 -51.61 66.95 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.627 0.649 . . . . 0.0 112.084 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.52 -47.89 83.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.396 1.079 . . . . 0.0 111.251 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.92 -27.71 70.05 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.732 0.682 . . . . 0.0 114.641 -176.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -79.98 -39.53 29.9 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.753 1.277 . . . . 0.0 111.002 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.6 m -69.25 -47.32 65.01 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.974 0.509 . . . . 0.0 110.542 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.95 27.31 5.42 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.909 2.484 . . . . 0.0 115.754 168.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -125.71 165.08 19.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.015 0.926 . . . . 0.0 111.299 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -66.13 103.02 0.89 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.279 1.432 . . . . 0.0 111.202 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.73 145.17 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 125.427 1.491 . . . . 0.0 112.604 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.3 mm -98.63 -57.54 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 126.117 1.767 . . . . 0.0 108.522 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -136.75 151.1 48.83 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.346 1.058 . . . . 0.0 110.871 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 tp -150.44 116.6 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.993 1.717 . . . . 0.0 107.936 178.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -115.56 141.82 47.56 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 123.903 0.881 . . . . 0.0 108.99 165.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.32 140.02 37.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 124.085 0.866 . . . . 0.0 109.644 161.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.94 151.86 36.55 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.324 0.583 . . . . 0.0 112.249 165.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -65.95 155.09 37.56 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.025 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 t -135.48 15.29 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-O 122.986 1.374 . . . . 0.0 114.037 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.2 tp . . . . . 0 C--O 1.243 0.749 0 C-N-CA 129.142 2.977 . . . . 0.0 110.268 173.671 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.442 ' HA ' ' OD1' ' B' ' 8' ' ' ASP . 1.9 mpt? . . . . . 0 CA--C 1.507 -0.688 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -147.67 146.23 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 124.348 1.059 . . . . 0.0 109.109 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -84.01 76.56 10.04 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 121.8 -0.562 . . . . 0.0 110.985 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -72.99 -50.7 21.65 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.868 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -148.12 92.8 2.08 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 171.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 60.53 -48.16 0.1 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.884 2.073 . . . . 0.0 112.911 -144.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.01 176.21 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 126.163 1.785 . . . . 0.0 110.776 -155.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.442 ' OD1' ' HA ' ' B' ' 1' ' ' MET . 10.6 p-10 -107.05 154.44 21.13 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.737 0.815 . . . . 0.0 110.716 162.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.49 168.57 0.08 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.89 1.276 . . . . 0.0 112.809 -157.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -56.02 152.59 10.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.68 1.229 . . . . 0.0 113.349 -168.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.69 123.39 43.69 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 126.356 1.862 . . . . 0.0 109.009 -178.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.9 t -122.74 143.51 35.36 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 125.527 1.531 . . . . 0.0 110.704 -177.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 81.8 m -138.0 101.02 4.32 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 125.266 1.426 . . . . 0.0 107.803 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 26.2 ttp -109.05 157.74 18.41 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.353 0.661 . . . . 0.0 110.6 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -148.21 116.13 6.41 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.74 0.816 . . . . 0.0 110.024 -173.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -117.26 170.81 8.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.363 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -121.15 127.44 51.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.174 1.39 . . . . 0.0 110.167 171.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -77.54 166.79 22.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.337 1.055 . . . . 0.0 111.506 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -65.75 -19.27 65.83 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -83.26 -0.78 51.11 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.884 0.874 . . . . 0.0 113.037 170.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.21 0.2 74.26 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.945 1.736 . . . . 0.0 114.083 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -83.81 130.21 34.93 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.68 1.74 . . . . 0.0 110.955 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -84.71 139.4 32.03 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.512 0.725 . . . . 0.0 111.064 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -141.51 145.65 35.44 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.804 0.811 . . . . 0.0 111.817 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -86.67 152.22 22.75 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 124.427 1.091 . . . . 0.0 112.323 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -134.15 77.06 1.68 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 128.455 2.702 . . . . 0.0 107.979 172.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -70.39 128.5 36.4 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.668 0.787 . . . . 0.0 109.716 166.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -142.38 89.39 2.15 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 124.504 1.121 . . . . 0.0 109.821 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -91.33 135.17 34.0 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.952 1.301 . . . . 0.0 110.525 176.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.55 51.91 3.33 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 124.426 1.012 . . . . 0.0 112.519 169.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.65 -163.65 1.45 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.426 1.09 . . . . 0.0 110.796 176.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 33.0 p -132.12 174.85 9.77 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 120.474 -1.391 . . . . 0.0 112.398 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 19.6 mt -59.93 -37.07 78.43 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.416 -0.803 . . . . 0.0 112.388 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 33.0 m -63.56 -25.26 68.16 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 173.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -87.51 -32.42 19.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.896 1.278 . . . . 0.0 111.481 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.81 -41.75 96.32 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.569 -0.707 . . . . 0.0 111.513 167.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -58.53 -33.72 70.18 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.777 0.831 . . . . 0.0 112.435 173.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -70.42 -51.94 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.503 170.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 50.6 tp -52.4 -56.73 13.04 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.34 1.056 . . . . 0.0 111.917 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -64.1 -39.75 94.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.5 1.12 . . . . 0.0 112.195 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.47 -25.54 60.87 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.423 -0.654 . . . . 0.0 114.703 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -100.74 -27.28 13.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.399 1.099 . . . . 0.0 113.668 -171.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 63.0 m -71.15 -33.47 70.08 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -169.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.65 -1.2 0.08 Allowed 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 117.407 2.373 . . . . 0.0 117.407 169.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -76.6 160.2 29.63 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.57 1.077 . . . . 0.0 111.575 170.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.35 116.23 4.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.74 1.216 . . . . 0.0 111.042 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.96 124.19 39.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 124.908 1.283 . . . . 0.0 112.83 -173.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 25.6 mm -112.19 -51.37 5.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 C-N-CA 127.992 2.517 . . . . 0.0 108.752 -170.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -140.69 154.79 46.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.254 1.021 . . . . 0.0 111.293 172.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -147.1 156.15 42.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 122.317 1.056 . . . . 0.0 112.255 153.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -136.19 139.35 42.76 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.05 2.14 . . . . 0.0 108.521 170.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.7 tt -137.97 135.65 36.2 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 126.209 1.804 . . . . 0.0 108.579 166.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -134.0 135.16 43.24 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 125.029 1.332 . . . . 0.0 109.144 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 149.61 50.15 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.137 157.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 29.3 m -99.42 127.08 52.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.453 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 C--O 1.247 0.973 0 C-N-CA 128.271 2.628 . . . . 0.0 113.91 -174.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 119.891 -0.099 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.3 m -55.33 -34.12 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 116.452 2.019 . . . . 0.0 116.452 -161.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -127.2 40.49 3.7 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.324 1.05 . . . . 0.0 112.427 -178.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -141.25 -32.64 0.54 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.746 -174.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -112.88 13.74 19.68 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.971 0.805 . . . . 0.0 112.247 -163.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 55.03 34.33 22.25 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.702 1.601 . . . . 0.0 111.557 -170.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -71.52 95.76 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -153.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -140.73 -57.94 0.52 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.552 0.692 . . . . 0.0 110.092 150.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.1 p -146.69 169.16 19.61 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.453 1.901 . . . . 0.0 110.136 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -44.66 140.71 2.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.197 2.199 . . . . 0.0 114.143 -155.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -104.75 116.48 32.09 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 125.631 1.573 . . . . 0.0 109.516 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.23 88.39 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.377 1.471 . . . . 0.0 110.615 -172.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.4 m -82.17 127.71 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.023 0.929 . . . . 0.0 108.66 176.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.4 ttm -137.3 145.12 43.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 118.593 0.633 . . . . 0.0 111.126 -174.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.3 141.79 43.85 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 122.865 1.317 . . . . 0.0 111.644 170.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 47' ' ' ILE . 17.9 mt -135.84 171.15 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.541 1.937 . . . . 0.0 108.935 -167.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -121.33 129.68 53.22 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.85 0.833 . . . . 0.0 111.788 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -74.97 160.5 30.49 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.088 1.355 . . . . 0.0 111.479 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -63.17 -21.88 66.5 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 175.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -82.99 1.43 39.9 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.455 0.702 . . . . 0.0 112.57 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.97 0.96 73.7 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.803 1.668 . . . . 0.0 114.216 175.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -78.71 131.32 36.56 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 118.102 0.951 . . . . 0.0 110.192 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -92.5 116.01 28.61 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.699 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -113.38 142.66 45.62 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.874 0.845 . . . . 0.0 110.4 -175.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -126.82 134.16 50.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.988 1.715 . . . . 0.0 109.358 -160.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -150.82 148.59 28.67 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.968 0.89 . . . . 0.0 112.377 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.83 138.86 32.88 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.923 1.289 . . . . 0.0 110.699 176.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -138.21 84.75 2.05 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.566 0.747 . . . . 0.0 109.303 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 169.92 8.31 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.699 0.8 . . . . 0.0 112.912 -178.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.02 43.87 96.72 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 123.459 0.552 . . . . 0.0 111.77 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 pp -136.91 -175.41 4.02 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.905 1.282 . . . . 0.0 110.44 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 p -133.93 -178.25 4.93 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 121.114 -0.991 . . . . 0.0 112.254 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.18 -28.84 67.63 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -164.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.2 p -68.29 -27.06 65.98 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -79.36 -33.13 43.22 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.315 1.046 . . . . 0.0 111.697 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -63.7 -41.07 98.17 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.779 -0.576 . . . . 0.0 111.531 169.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.19 -28.98 68.41 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.631 0.773 . . . . 0.0 113.013 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.8 t -69.13 -50.93 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 118.711 0.687 . . . . 0.0 110.317 170.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.2 tp -55.89 -52.37 64.3 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.091 0.86 . . . . 0.0 111.265 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -63.25 -33.66 75.97 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.703 1.201 . . . . 0.0 113.195 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.39 -19.6 48.69 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.463 1.029 . . . . 0.0 115.244 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -118.28 -26.21 6.37 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.543 1.172 . . . . 0.0 113.523 -170.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 m -123.0 -14.82 7.51 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.863 0.465 . . . . 0.0 112.149 -162.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.41 31.05 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.689 2.395 . . . . 0.0 115.949 -175.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.02 100.36 1.22 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.735 2.414 . . . . 0.0 111.171 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 53.55 76.59 0.21 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.616 1.966 . . . . 0.0 112.56 -159.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.445 ' HA ' HD22 ' A' ' 16' ' ' LEU . 9.6 tp -65.61 131.59 31.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 125.864 1.666 . . . . 0.0 112.478 166.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.0 mm -124.79 -55.91 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 126.93 2.092 . . . . 0.0 107.542 -176.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' HE2' ' OD1' ' B' ' 53' ' ' ASP . 20.6 ttmt -143.93 147.06 33.43 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 118.979 0.809 . . . . 0.0 111.504 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.29 148.33 36.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.168 163.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 102.98 5.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 126.109 1.764 . . . . 0.0 108.68 -177.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.6 tt -110.15 132.18 54.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.476 1.91 . . . . 0.0 109.102 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.86 144.0 48.66 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 123.863 0.865 . . . . 0.0 109.372 165.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 148.56 51.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.294 -0.962 . . . . 0.0 110.145 153.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.9 m -113.04 130.07 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.209 0.528 . . . . 0.0 111.131 -167.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 C--O 1.251 1.164 0 C-N-CA 125.588 1.555 . . . . 0.0 111.564 -177.506 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.51 -0.583 0 CA-C-O 120.787 0.327 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.5 m -68.68 153.25 9.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-O 122.634 1.207 . . . . 0.0 111.86 -169.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -107.3 84.56 1.99 Allowed 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 113.085 -1.871 . . . . 0.0 107.202 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -89.31 -10.85 45.24 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.6 -1.182 . . . . 0.0 113.368 -168.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -94.56 -45.88 7.21 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.081 1.753 . . . . 0.0 111.222 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -99.17 68.78 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.271 1.428 . . . . 0.0 108.704 167.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -86.76 159.63 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.662 -169.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t0 73.64 -77.21 0.06 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 127.81 2.444 . . . . 0.0 114.441 165.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.94 174.66 10.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.879 0.872 . . . . 0.0 112.641 -172.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.523 ' CZ ' HD21 ' B' ' 33' ' ' LEU . 42.8 m-85 -46.14 145.5 1.59 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.026 2.13 . . . . 0.0 111.877 -163.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -81.93 149.79 28.04 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 121.822 -0.549 . . . . 0.0 110.56 154.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.1 t -135.55 87.83 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 125.765 1.626 . . . . 0.0 107.392 161.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 61.4 m -65.52 118.64 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 165.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 54.3 ttm -134.17 144.94 48.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 119.085 0.857 . . . . 0.0 110.556 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.36 130.25 30.38 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.115 173.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -119.72 165.45 14.51 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.272 1.429 . . . . 0.0 109.979 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -111.48 119.91 40.37 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.595 1.158 . . . . 0.0 110.303 169.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.464 ' HA ' ' OD1' ' B' ' 45' ' ' ASP . 7.9 p-10 -75.34 172.83 11.77 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.834 2.053 . . . . 0.0 112.658 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -60.76 -28.69 68.91 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.302 1.441 . . . . 0.0 113.805 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -90.82 -5.37 55.7 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.581 -0.699 . . . . 0.0 112.707 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.23 16.48 69.21 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.863 -0.965 . . . . 0.0 114.654 171.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -70.72 -33.21 70.62 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.773 1.286 . . . . 0.0 112.709 -172.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 67.77 133.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 128.188 2.595 . . . . 0.0 112.314 -170.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -138.62 152.91 48.53 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.424 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -137.0 137.98 40.01 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 126.547 1.939 . . . . 0.0 109.934 -164.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -154.58 145.53 22.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.406 0.622 . . . . 0.0 111.778 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -83.95 103.59 13.32 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.521 1.128 . . . . 0.0 109.913 166.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -94.66 82.3 3.93 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -113.23 167.89 10.18 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.241 1.016 . . . . 0.0 113.392 -168.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.43 35.95 69.01 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.895 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 pp -143.07 -173.51 3.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.809 1.243 . . . . 0.0 110.561 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -132.28 -175.58 3.79 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.26 -0.9 . . . . 0.0 113.147 -169.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' B' ' 10' ' ' TYR . 3.8 mm? -74.28 -26.54 60.26 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 121.002 -1.061 . . . . 0.0 113.4 -166.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 37.7 p -74.12 -24.52 59.46 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.309 1.044 . . . . 0.0 112.541 167.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -81.0 -35.04 32.48 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.124 0.97 . . . . 0.0 111.07 174.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -58.33 -43.38 88.19 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.938 0.895 . . . . 0.0 111.667 164.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -56.92 -36.2 69.92 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.293 1.037 . . . . 0.0 112.423 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -68.22 -51.62 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 123.394 0.678 . . . . 0.0 110.731 171.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.52 -52.34 64.01 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.949 0.795 . . . . 0.0 112.382 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -67.73 -23.21 65.23 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.636 1.175 . . . . 0.0 113.192 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.37 -34.84 6.85 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.786 0.708 . . . . 0.0 114.379 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -96.86 -26.1 15.21 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -167.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 61.1 m -72.42 -33.9 67.44 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -167.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 59.5 -11.49 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.334 2.654 . . . . 0.0 117.665 172.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.464 ' OD1' ' HA ' ' B' ' 18' ' ' ASP . 23.0 m-20 -68.65 155.94 39.11 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.522 1.056 . . . . 0.0 111.143 166.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -72.66 127.23 31.92 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.945 0.498 . . . . 0.0 111.398 -168.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 tp -71.51 122.77 24.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 C-N-CA 124.692 1.197 . . . . 0.0 112.813 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 48.1 mm -114.75 -48.4 4.93 Favored 'Isoleucine or valine' 0 C--N 1.338 0.097 0 C-N-CA 127.204 2.202 . . . . 0.0 108.949 -176.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -146.6 145.37 30.06 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 123.564 0.746 . . . . 0.0 112.355 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 tp -150.16 122.39 8.36 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.682 1.593 . . . . 0.0 109.431 177.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -128.45 93.92 3.76 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 125.227 1.411 . . . . 0.0 109.591 173.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.7 tt -86.0 136.28 33.32 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.407 1.083 . . . . 0.0 109.691 171.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.491 ' OD1' ' HE2' ' A' ' 49' ' ' LYS . 30.1 t70 -152.28 111.73 3.92 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.795 0.838 . . . . 0.0 111.281 -172.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' B' ' 10' ' ' TYR . 28.2 tptp -60.05 104.15 0.28 Allowed 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 122.999 1.38 . . . . 0.0 110.281 163.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.5 m -57.84 165.57 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 112.069 -2.332 . . . . 0.0 111.424 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.248 1.016 0 C-N-CA 125.768 1.627 . . . . 0.0 112.855 179.542 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpt . . . . . 0 N--CA 1.47 0.525 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -63.25 162.06 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 123.28 1.514 . . . . 0.0 111.503 173.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.07 111.06 2.73 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 127.029 2.132 . . . . 0.0 108.231 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -146.28 -52.76 0.24 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.121 -1.399 . . . . 0.0 110.793 -171.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -146.51 23.31 1.28 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.15 0.58 . . . . 0.0 112.058 -175.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 56.62 43.66 25.18 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.022 1.729 . . . . 0.0 112.843 -166.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.2 t -65.56 98.37 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 124.558 1.143 . . . . 0.0 112.831 -169.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.419 ' H ' HG23 ' A' ' 55' ' ' VAL . 9.5 t0 -155.76 -73.89 0.11 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.25 2.22 . . . . 0.0 108.097 163.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 p -148.0 171.47 15.76 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.503 2.321 . . . . 0.0 108.861 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -48.35 154.66 0.59 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.76 1.624 . . . . 0.0 115.002 -158.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.78 108.04 12.58 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.614 1.966 . . . . 0.0 110.011 -171.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.9 t -101.28 140.23 20.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 124.6 1.16 . . . . 0.0 109.702 174.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.7 m -136.91 99.56 4.06 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.512 1.125 . . . . 0.0 108.195 166.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.5 mtm -98.66 166.93 11.1 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.347 168.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -151.58 151.51 31.64 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 122.467 1.127 . . . . 0.0 111.185 166.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -128.68 178.58 6.23 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 127.569 2.347 . . . . 0.0 108.955 -175.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -127.37 142.33 51.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.662 0.785 . . . . 0.0 110.508 173.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -139.32 -178.58 5.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.514 1.526 . . . . 0.0 110.392 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.1 t0 28.93 76.42 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 128.019 2.528 . . . . 0.0 114.322 156.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 t70 72.76 0.5 3.67 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.78 2.032 . . . . 0.0 114.297 171.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.13 4.68 5.44 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 125.11 1.338 . . . . 0.0 113.586 -177.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -60.14 107.29 0.62 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.821 1.648 . . . . 0.0 110.104 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -70.35 138.16 51.18 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 168.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -139.71 151.19 45.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.69 0.757 . . . . 0.0 111.278 171.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -103.06 152.36 21.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.988 -172.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -133.46 77.55 1.73 Allowed 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.569 1.948 . . . . 0.0 107.765 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -98.98 129.14 45.26 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.539 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -148.57 99.67 3.03 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 126.062 1.745 . . . . 0.0 108.608 -167.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.9 171.32 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.443 0.697 . . . . 0.0 111.897 174.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.56 40.16 54.58 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 123.583 0.611 . . . . 0.0 112.123 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.02 -167.15 2.16 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.645 1.178 . . . . 0.0 110.407 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -132.71 178.05 7.15 Favored 'General case' 0 C--O 1.232 0.175 0 O-C-N 120.824 -1.173 . . . . 0.0 112.712 -176.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.27 -37.25 79.89 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.285 -0.885 . . . . 0.0 113.245 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.9 m -70.72 -18.62 62.8 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -89.23 -34.18 16.72 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.498 1.119 . . . . 0.0 110.974 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -58.04 -44.05 87.18 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.852 -0.53 . . . . 0.0 111.355 166.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -57.55 -32.68 67.34 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.48 -48.08 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 122.986 0.514 . . . . 0.0 110.851 173.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.8 -49.28 78.32 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.247 1.019 . . . . 0.0 111.468 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.82 -46.79 84.2 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.512 0.725 . . . . 0.0 111.213 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.69 -17.06 70.68 Favored Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.456 0.942 . . . . 0.0 115.456 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -110.36 -31.83 7.16 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.963 1.381 . . . . 0.0 113.772 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 m -126.22 -14.93 5.86 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -156.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.43 28.33 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.85 109.01 1.12 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.536 1.534 . . . . 0.0 112.289 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 52.97 42.85 32.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.863 1.665 . . . . 0.0 113.072 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.412 HD11 ' HB3' ' A' ' 50' ' ' LEU . 6.5 tt -53.32 156.23 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 125.529 1.532 . . . . 0.0 115.129 -171.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.3 mm -116.94 -64.42 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 C-N-CA 127.899 2.48 . . . . 0.0 108.527 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -133.34 155.56 49.22 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 122.036 0.922 . . . . 0.0 112.131 175.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.412 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -148.87 120.46 8.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 113.075 -1.875 . . . . 0.0 108.789 173.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -106.72 139.21 41.51 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.369 1.467 . . . . 0.0 109.332 170.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.4 tp -134.48 146.43 49.76 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.347 1.059 . . . . 0.0 108.902 164.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.53 133.36 30.72 Favored 'General case' 0 C--O 1.241 0.605 0 C-N-CA 126.844 2.058 . . . . 0.0 107.106 177.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' NZ ' ' OXT' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -70.9 148.45 47.75 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 116.977 -1.889 . . . . 0.0 108.714 148.215 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 8' ' ' ASP . 27.0 m -99.78 136.14 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.553 -172.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.407 ' OXT' ' NZ ' ' A' ' 54' ' ' LYS . 29.0 tp . . . . . 0 C--O 1.249 1.034 0 C-N-CA 127.111 2.164 . . . . 0.0 113.67 -164.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.482 ' HA ' ' OD1' ' B' ' 5' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 118.809 -0.615 . . . . 0.0 109.687 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.488 HG11 ' H ' ' B' ' 3' ' ' GLN . 7.6 p -151.32 -61.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.338 0.098 0 O-C-N 124.326 1.016 . . . . 0.0 110.077 170.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.488 ' H ' HG11 ' B' ' 2' ' ' VAL . 12.8 tt0 -161.88 170.67 19.04 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.328 2.251 . . . . 0.0 108.582 164.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 61.4 17.83 8.74 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.97 2.108 . . . . 0.0 113.474 -172.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . 0.482 ' OD1' ' HA ' ' B' ' 1' ' ' MET . 22.4 m-20 -73.93 -58.71 3.12 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.53 1.132 . . . . 0.0 112.344 -169.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -112.16 8.72 20.03 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.114 1.365 . . . . 0.0 112.476 -175.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 p 3.5 83.21 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.439 1 C-N-CA 132.7 4.4 . . . . 0.0 116.18 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -157.28 -54.52 0.08 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 122.052 0.93 . . . . 0.0 111.363 169.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.7 m -140.39 -174.88 4.07 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.943 1.697 . . . . 0.0 110.528 -170.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -63.07 148.06 48.94 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.193 0.521 . . . . 0.0 110.048 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -99.43 155.19 17.67 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 152.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.5 t -128.03 89.37 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.744 1.218 . . . . 0.0 108.097 163.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 3.7 m -64.94 128.96 37.92 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 165.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.5 ttm -143.14 146.1 33.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 122.107 0.956 . . . . 0.0 111.764 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -125.29 112.88 16.89 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 126.389 1.876 . . . . 0.0 109.447 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.56 165.32 11.9 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 113.955 -1.475 . . . . 0.0 109.803 176.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -119.59 121.5 39.46 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.745 1.218 . . . . 0.0 109.227 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.77 163.36 14.26 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 122.408 1.099 . . . . 0.0 110.599 175.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -32.36 67.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.038 1.735 . . . . 0.0 113.021 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -75.76 -7.3 54.07 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.09 0.556 . . . . 0.0 112.228 174.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.36 3.25 63.26 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.433 1.492 . . . . 0.0 113.694 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -77.98 119.9 22.07 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 118.182 0.991 . . . . 0.0 110.663 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -82.46 132.12 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.536 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -134.55 125.13 26.67 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 122.255 1.026 . . . . 0.0 112.139 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -98.99 130.06 45.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 126.223 1.809 . . . . 0.0 110.302 -172.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -141.01 139.71 34.19 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.642 0.777 . . . . 0.0 111.749 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.18 133.85 33.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.366 159.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -119.9 76.07 1.13 Allowed 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 122.178 0.99 . . . . 0.0 108.497 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -77.9 161.41 27.6 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.762 1.625 . . . . 0.0 111.196 -175.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.79 30.73 63.33 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.797 -0.638 . . . . 0.0 113.101 171.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 16.0 mt -115.96 -179.05 3.55 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.835 1.254 . . . . 0.0 111.847 -171.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 13.3 p -134.33 179.39 6.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.412 -0.805 . . . . 0.0 111.148 171.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.61 -34.24 75.29 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -66.83 -26.73 67.06 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 173.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -87.64 -29.42 21.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.378 1.071 . . . . 0.0 111.574 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -58.83 -44.73 90.99 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.565 -0.709 . . . . 0.0 111.049 165.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.38 -27.88 67.76 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 175.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.74 -53.96 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 118.419 0.554 . . . . 0.0 110.348 171.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.99 -53.59 56.65 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.097 0.408 . . . . 0.0 111.396 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.53 -53.35 58.51 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.02 0.928 . . . . 0.0 111.269 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.92 -24.05 69.79 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-O 119.25 -0.75 . . . . 0.0 114.895 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -98.25 -26.41 14.54 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.409 1.104 . . . . 0.0 113.118 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.0 -14.38 6.09 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -155.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.31 24.6 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -168.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -79.05 98.08 6.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.434 1.894 . . . . 0.0 111.184 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 62.01 52.4 3.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.566 1.947 . . . . 0.0 112.444 -164.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.86 129.39 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.136 160.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.8 mm -105.7 -49.03 8.99 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 C-N-CA 124.221 1.009 . . . . 0.0 109.405 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -142.66 156.26 45.03 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.789 0.836 . . . . 0.0 111.3 171.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 pp -148.05 157.37 43.47 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.256 0.551 . . . . 0.0 110.867 155.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -143.38 94.42 2.61 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 127.086 2.154 . . . . 0.0 107.866 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tt -81.14 139.93 35.31 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.852 0.861 . . . . 0.0 109.636 167.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -148.82 122.16 9.02 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.988 0.915 . . . . 0.0 110.235 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -65.56 92.15 0.14 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 122.32 1.057 . . . . 0.0 108.301 160.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.37 -0.65 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 -159.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.254 1.308 0 C-N-CA 129.26 3.024 . . . . 0.0 112.971 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 tpt . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.5 m -135.61 170.59 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 C-N-CA 126.386 1.875 . . . . 0.0 108.489 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -60.01 99.31 0.07 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.188 1.395 . . . . 0.0 110.244 168.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -127.19 -40.91 1.8 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -168.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -130.82 38.08 3.73 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.88 1.272 . . . . 0.0 109.091 -169.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 t80 67.1 -13.05 0.21 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.905 2.482 . . . . 0.0 113.985 -163.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 t -88.0 100.76 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 119.66 1.118 . . . . 0.0 112.988 -173.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -141.77 -66.18 0.41 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.084 0.954 . . . . 0.0 111.489 163.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -146.24 177.76 8.76 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.899 0.88 . . . . 0.0 112.219 171.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -50.23 149.31 2.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.713 1.605 . . . . 0.0 113.787 -163.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -87.73 140.63 29.31 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.112 0.965 . . . . 0.0 110.276 163.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 t -135.32 85.57 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.833 1.653 . . . . 0.0 107.726 164.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.5 m -77.76 116.58 18.39 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 2.9 tpp -127.58 155.52 43.72 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.485 0.66 . . . . 0.0 110.236 -170.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 14' ' ' MET . 3.2 pp -135.06 144.79 47.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.786 0.834 . . . . 0.0 111.918 158.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.82 155.55 42.43 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.947 1.699 . . . . 0.0 109.641 -168.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -69.84 123.89 22.62 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.221 0.534 . . . . 0.0 111.721 175.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -71.7 164.71 25.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.525 1.93 . . . . 0.0 111.907 168.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -53.63 -34.95 60.3 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.867 1.267 . . . . 0.0 113.21 169.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.74 -3.6 26.23 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.603 1.161 . . . . 0.0 113.268 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.47 1.61 80.73 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.26 1.41 . . . . 0.0 114.455 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -92.03 147.61 22.82 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 118.672 1.236 . . . . 0.0 111.671 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -73.86 113.04 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 123.624 0.77 . . . . 0.0 109.14 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -105.27 140.84 37.81 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.648 0.737 . . . . 0.0 110.048 174.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -97.74 135.68 39.18 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 126.807 2.043 . . . . 0.0 110.503 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -151.03 125.66 9.6 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.105 0.955 . . . . 0.0 112.203 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -69.64 134.95 49.32 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.326 168.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -130.8 79.85 1.92 Allowed 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 124.064 0.946 . . . . 0.0 108.508 167.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.7 164.21 13.99 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.165 0.986 . . . . 0.0 111.498 -176.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.31 36.76 59.5 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 pp -138.56 170.86 15.26 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 125.834 1.653 . . . . 0.0 109.884 175.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.1 p -114.75 178.57 4.23 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -170.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.96 -25.53 64.59 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.615 -1.303 . . . . 0.0 114.189 -169.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.6 p -75.12 -27.27 59.74 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.646 0.779 . . . . 0.0 112.799 169.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -76.89 -33.73 57.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.51 1.124 . . . . 0.0 110.91 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -60.02 -43.09 95.49 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.255 1.022 . . . . 0.0 112.033 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -55.21 -38.56 68.58 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 172.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.98 -44.99 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 123.892 0.877 . . . . 0.0 110.821 175.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.48 -52.49 65.43 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.03 0.832 . . . . 0.0 111.444 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -57.81 -47.21 83.26 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.545 0.738 . . . . 0.0 111.458 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.12 -24.97 63.8 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.048 1.309 . . . . 0.0 115.219 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -95.5 -1.01 51.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.847 1.259 . . . . 0.0 114.039 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.1 p -53.88 -53.72 48.59 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.12 0.873 . . . . 0.0 112.984 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.37 -5.51 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 128.877 2.871 . . . . 0.0 117.832 170.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -130.93 -177.84 4.55 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 128.204 2.602 . . . . 0.0 111.116 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.03 88.34 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.967 1.307 . . . . 0.0 113.514 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 tp -65.5 122.17 15.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 129.093 2.957 . . . . 0.0 110.864 168.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.3 mm -114.18 -66.47 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 C-N-CA 126.252 1.821 . . . . 0.0 109.029 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -133.23 138.79 46.65 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.333 1.424 . . . . 0.0 113.067 -170.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 tt -146.67 119.93 8.94 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.245 2.218 . . . . 0.0 108.571 -170.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -126.44 91.7 3.41 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.699 1.6 . . . . 0.0 110.188 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 tt -82.79 138.14 34.09 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.824 0.85 . . . . 0.0 110.146 168.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -152.01 118.88 5.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.323 1.449 . . . . 0.0 109.458 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.471 ' HZ3' ' C ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -60.9 144.4 53.03 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-O 121.874 0.845 . . . . 0.0 111.613 173.312 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m -89.11 142.27 13.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.396 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.471 ' C ' ' HZ3' ' A' ' 54' ' ' LYS . 28.9 tp . . . . . 0 C--O 1.25 1.083 0 C-N-CA 127.424 2.29 . . . . 0.0 112.629 -167.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.2 tpp . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -95.61 -38.64 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.619 0.768 . . . . 0.0 110.383 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -71.76 86.4 0.95 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.12 1.368 . . . . 0.0 111.399 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -71.47 -21.64 61.92 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.264 1.426 . . . . 0.0 113.029 174.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . 0.434 ' CG ' ' HZ1' ' B' ' 29' ' ' LYS . 34.2 t0 -141.92 153.54 44.44 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.609 1.963 . . . . 0.0 108.223 171.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.559 ' CZ ' ' HE2' ' B' ' 29' ' ' LYS . 96.2 m-85 42.31 62.32 1.72 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.714 1.245 . . . . 0.0 111.319 -159.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.3 p -70.88 153.11 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.535 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -56.88 143.83 35.84 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 123.041 1.401 . . . . 0.0 110.87 172.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.4 m 138.1 -174.91 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.971 2.908 . . . . 0.0 111.205 -144.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -94.52 162.28 13.87 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.179 1.392 . . . . 0.0 109.82 151.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -126.73 126.31 43.26 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 128.198 2.599 . . . . 0.0 107.945 173.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -126.24 97.27 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 C-N-CA 124.546 1.139 . . . . 0.0 109.841 -171.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 10.2 m -90.03 94.39 9.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.233 1.013 . . . . 0.0 108.496 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 54.2 ttm -94.05 154.24 17.73 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.633 0.73 . . . . 0.0 109.954 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -147.3 113.76 5.97 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.705 1.202 . . . . 0.0 109.898 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.42 -173.66 2.35 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.544 1.138 . . . . 0.0 110.421 173.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -118.07 134.14 55.26 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.705 1.202 . . . . 0.0 110.48 167.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.51 161.07 30.79 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.478 1.911 . . . . 0.0 111.461 173.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -55.21 -29.67 58.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.214 1.406 . . . . 0.0 113.105 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -71.89 -3.15 20.78 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.97 0.908 . . . . 0.0 113.357 174.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.02 13.9 78.33 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.266 1.412 . . . . 0.0 113.693 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -107.34 152.15 24.53 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.63 1.572 . . . . 0.0 110.736 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -68.76 152.22 45.61 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 122.023 0.916 . . . . 0.0 112.87 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -136.85 92.46 2.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.644 1.977 . . . . 0.0 108.594 -163.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -81.37 127.63 32.96 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.558 1.943 . . . . 0.0 111.645 -169.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -132.8 79.97 1.87 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.095 1.758 . . . . 0.0 108.589 -173.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -83.47 131.28 35.03 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 111.426 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -140.48 82.11 1.84 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.877 1.271 . . . . 0.0 111.066 -176.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.559 ' HE2' ' CZ ' ' B' ' 6' ' ' PHE . 90.5 mttt -69.49 166.15 19.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.027 1.331 . . . . 0.0 110.193 166.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.23 26.22 72.66 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.081 -0.844 . . . . 0.0 114.633 159.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.06 -172.75 2.96 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.103 0.961 . . . . 0.0 111.849 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.4 p -127.95 176.97 7.18 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -173.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.21 -42.25 76.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.955 0.902 . . . . 0.0 112.792 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 26.6 m -67.14 -30.7 70.76 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.55 -0.719 . . . . 0.0 112.775 176.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.88 -34.87 57.74 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.748 0.819 . . . . 0.0 111.2 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -58.72 -44.92 90.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.703 1.201 . . . . 0.0 111.82 169.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -57.92 -38.23 75.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.344 0.657 . . . . 0.0 112.053 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -66.41 -49.61 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.144 0.578 . . . . 0.0 111.2 171.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 tp -52.65 -54.92 26.65 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.969 0.908 . . . . 0.0 111.144 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.84 -50.34 73.63 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.421 1.088 . . . . 0.0 111.501 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.09 -17.88 56.42 Favored Glycine 0 CA--C 1.534 1.263 0 N-CA-C 115.537 0.975 . . . . 0.0 115.537 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -111.52 -19.45 12.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.844 1.258 . . . . 0.0 113.875 -175.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.49 -13.44 2.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -161.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.56 48.48 0.19 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -172.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.36 98.0 11.52 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.528 1.531 . . . . 0.0 111.392 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 64.62 71.52 0.46 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.563 1.945 . . . . 0.0 111.625 -172.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tt -72.94 137.56 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.412 1.485 . . . . 0.0 113.616 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 37.8 mm -120.01 -58.09 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 129.562 3.145 . . . . 0.0 108.037 -175.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -137.02 160.4 39.04 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.538 1.063 . . . . 0.0 112.751 174.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tt -151.33 113.01 4.43 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.761 1.225 . . . . 0.0 109.306 173.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 94.02 4.72 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 123.982 0.913 . . . . 0.0 109.805 176.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tt -92.53 132.42 36.84 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.35 0.66 . . . . 0.0 109.271 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -146.41 120.58 9.5 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.092 1.357 . . . . 0.0 110.709 -174.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -61.13 113.3 2.5 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 121.175 -0.953 . . . . 0.0 110.153 165.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.6 t -74.37 152.56 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.245 0.845 0 C-N-CA 125.834 1.654 . . . . 0.0 112.854 -171.285 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 mtt . . . . . 0 CA--C 1.498 -1.03 0 CA-C-O 120.37 0.128 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.0 m 47.08 177.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 124.154 1.93 . . . . 0.0 112.753 -170.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -79.26 38.75 0.37 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 120.794 -1.191 . . . . 0.0 113.791 -175.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -93.36 -34.89 13.3 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.163 1.385 . . . . 0.0 109.911 165.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.75 -66.5 0.3 Allowed 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.86 0.864 . . . . 0.0 111.091 -174.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -125.15 89.98 3.15 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 127.454 2.302 . . . . 0.0 108.835 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.83 146.8 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.208 171.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.1 132.49 53.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 123.625 1.679 . . . . 0.0 113.023 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m 154.6 -175.22 0.0 OUTLIER 'General case' 0 C--O 1.237 0.421 0 C-N-CA 128.893 2.877 . . . . 0.0 108.214 -154.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -98.55 158.4 15.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 122.414 1.102 . . . . 0.0 111.217 156.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -106.39 148.8 27.66 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.628 1.571 . . . . 0.0 108.145 160.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t -130.21 90.22 1.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 124.523 1.129 . . . . 0.0 108.486 168.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.0 m -75.57 105.42 6.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 170.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 58.3 ttm -125.2 150.24 47.18 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.619 0.768 . . . . 0.0 111.332 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -135.77 117.07 14.59 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.655 1.182 . . . . 0.0 111.024 -172.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -116.29 172.29 7.28 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 126.261 1.825 . . . . 0.0 110.86 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -131.04 139.74 49.98 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.435 1.094 . . . . 0.0 110.162 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -152.8 -176.83 5.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.566 0.747 . . . . 0.0 110.252 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 36.22 75.23 0.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.42 2.688 . . . . 0.0 112.918 163.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t70 78.92 -3.32 2.22 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.024 2.129 . . . . 0.0 113.903 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.74 11.01 10.64 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.738 1.161 . . . . 0.0 113.68 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -67.05 102.96 1.07 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.449 1.5 . . . . 0.0 109.423 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -77.81 139.53 39.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.36 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -140.34 133.91 30.18 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.717 0.77 . . . . 0.0 111.645 -175.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -80.82 151.29 28.79 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.675 169.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -138.2 152.02 48.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.788 1.235 . . . . 0.0 109.956 153.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -120.09 81.55 1.76 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.239 1.416 . . . . 0.0 109.145 -169.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -85.18 71.11 10.92 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.284 0.564 . . . . 0.0 110.754 -168.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -66.45 160.55 24.69 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.788 1.235 . . . . 0.0 111.201 171.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.75 22.26 77.32 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.984 170.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 mt -105.63 -178.58 3.69 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.739 1.216 . . . . 0.0 111.777 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 p -132.44 177.25 7.74 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.73 1.212 . . . . 0.0 111.166 170.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.29 -33.21 75.01 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.279 -0.888 . . . . 0.0 112.978 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.3 m -69.23 -22.54 63.86 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 173.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -89.32 -31.25 17.9 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.388 1.075 . . . . 0.0 111.246 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -58.43 -43.81 88.88 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.617 -0.677 . . . . 0.0 111.102 164.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -56.78 -32.99 66.19 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.358 0.874 . . . . 0.0 113.358 173.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.7 t -68.84 -52.72 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 118.323 0.51 . . . . 0.0 110.396 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.02 -48.58 79.63 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.305 0.502 . . . . 0.0 111.238 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -61.25 -39.98 92.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.436 1.095 . . . . 0.0 112.758 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.47 -12.89 77.45 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 118.866 -0.963 . . . . 0.0 115.215 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -118.24 -28.83 5.7 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.665 1.233 . . . . 0.0 113.501 -174.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -126.25 -24.11 3.74 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -162.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.41 31.55 0.06 Allowed 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -175.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -57.58 -50.61 72.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.378 1.871 . . . . 0.0 113.509 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -122.7 51.76 1.38 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.483 1.513 . . . . 0.0 109.503 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 tp -60.1 126.5 17.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 126.046 1.738 . . . . 0.0 112.757 -172.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mm -110.22 -54.21 5.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.153 0 C-N-CA 127.274 2.23 . . . . 0.0 108.337 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -140.46 154.79 46.76 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 123.641 0.776 . . . . 0.0 111.226 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.41 149.14 34.19 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.946 155.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 ttp-105 -139.72 99.16 3.64 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.472 1.909 . . . . 0.0 108.26 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -99.1 141.17 32.2 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.184 174.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -149.21 124.47 10.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.8 -169.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 112.29 5.92 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 160.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.22 161.35 4.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 122.46 1.124 . . . . 0.0 112.896 -156.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--O 1.254 1.301 0 C-N-CA 126.702 2.001 . . . . 0.0 111.135 168.506 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.2 t -123.84 158.45 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 126.17 1.788 . . . . 0.0 107.766 175.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -52.45 133.06 35.5 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.137 1.375 . . . . 0.0 112.619 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -145.48 1.87 0.94 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -174.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -100.39 -41.52 6.99 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.032 0.933 . . . . 0.0 111.761 -172.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -71.32 3.36 3.75 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.861 1.264 . . . . 0.0 113.926 170.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -14.6 83.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.454 1 C-N-CA 132.26 4.224 . . . . 0.0 116.0 -170.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -151.28 -76.81 0.14 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.116 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.7 t -168.12 -178.09 3.56 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.114 2.166 . . . . 0.0 108.874 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -39.33 128.3 1.81 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.5 1.92 . . . . 0.0 114.667 -161.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -97.91 94.82 7.1 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 126.606 1.963 . . . . 0.0 109.208 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.88 131.29 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 167.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 91.4 m -134.02 92.79 3.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.715 -1.216 . . . . 0.0 107.715 173.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.2 ttp -112.89 162.65 15.58 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.502 1.121 . . . . 0.0 109.862 -175.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -150.43 156.67 41.91 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 122.109 0.957 . . . . 0.0 111.373 167.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.84 175.67 7.49 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.007 1.723 . . . . 0.0 109.893 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -126.71 134.06 50.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.571 1.148 . . . . 0.0 109.521 171.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -72.83 160.03 32.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.404 1.481 . . . . 0.0 110.94 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.18 -27.07 68.15 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.782 0.833 . . . . 0.0 112.289 168.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.47 -7.06 45.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.901 1.28 . . . . 0.0 112.973 171.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.66 1.58 73.84 Favored Glycine 0 C--N 1.341 0.837 0 C-N-CA 124.643 1.116 . . . . 0.0 114.718 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 pttm -91.11 146.0 24.21 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.452 1.126 . . . . 0.0 110.937 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -85.27 149.47 25.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.867 174.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -143.85 142.26 30.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.683 0.754 . . . . 0.0 110.923 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -96.16 153.94 17.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 122.558 1.17 . . . . 0.0 112.738 -169.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -136.86 70.06 1.41 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.086 2.554 . . . . 0.0 107.878 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -83.93 116.51 22.82 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.346 1.458 . . . . 0.0 109.8 172.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -144.93 91.36 2.15 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.829 1.652 . . . . 0.0 110.13 -174.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.46 169.35 9.97 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 170.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.76 36.7 66.54 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 123.189 0.423 . . . . 0.0 113.141 176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.12 -164.74 1.54 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.145 0.978 . . . . 0.0 109.977 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.9 p -137.82 -178.54 5.3 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.774 -1.204 . . . . 0.0 112.943 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.96 -35.71 81.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.297 -0.877 . . . . 0.0 112.395 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 45.2 m -72.95 -18.71 61.35 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.812 0.845 . . . . 0.0 113.196 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -86.43 -37.38 18.39 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.453 1.101 . . . . 0.0 110.566 172.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -59.6 -41.31 90.06 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.564 -0.71 . . . . 0.0 111.552 166.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.43 -39.65 73.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.341 1.056 . . . . 0.0 112.212 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.04 -51.99 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.27 1.028 . . . . 0.0 109.927 172.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.58 -50.47 70.0 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.944 0.898 . . . . 0.0 112.25 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -57.55 -53.8 54.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.555 1.142 . . . . 0.0 110.594 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.24 -22.83 61.34 Favored Glycine 0 CA--C 1.534 1.269 0 N-CA-C 115.036 0.774 . . . . 0.0 115.036 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -89.57 -19.97 24.33 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.389 1.095 . . . . 0.0 112.786 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -125.96 -27.75 3.27 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -161.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.75 65.35 1.88 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.806 1.242 . . . . 0.0 113.612 -169.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.31 -64.89 0.76 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.285 1.034 . . . . 0.0 109.966 165.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -117.05 178.68 4.27 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 148.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -121.27 154.87 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 163.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.8 mm -109.44 -61.79 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -136.51 147.79 47.3 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.508 1.123 . . . . 0.0 110.559 172.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 tp -149.53 104.88 3.4 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.941 1.296 . . . . 0.0 108.937 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.1 145.15 26.84 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.859 0.864 . . . . 0.0 110.059 168.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 tt -143.54 136.76 27.9 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.996 1.318 . . . . 0.0 108.59 164.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.84 142.89 49.19 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 124.564 1.146 . . . . 0.0 108.382 169.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -63.32 153.27 35.47 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 119.389 -0.924 . . . . 0.0 111.871 161.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.6 t -136.15 8.71 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 123.255 1.502 . . . . 0.0 113.382 172.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 C--O 1.251 1.174 0 C-N-CA 131.25 3.82 . . . . 0.0 109.121 179.163 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.461 0.11 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -72.94 158.11 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 123.57 0.748 . . . . 0.0 112.376 173.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 46.72 52.52 11.18 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.925 1.69 . . . . 0.0 112.683 175.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -58.48 -41.14 84.62 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.206 1.402 . . . . 0.0 114.431 -165.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -99.73 -6.33 27.26 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -175.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.3 t80 49.25 54.32 11.15 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.936 1.35 . . . . 0.0 110.546 -165.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.05 164.32 2.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 113.153 -1.84 . . . . 0.0 113.818 -152.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.64 163.61 18.56 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.588 1.155 . . . . 0.0 113.842 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.6 m 78.67 165.09 0.21 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.693 2.797 . . . . 0.0 111.816 -162.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -47.0 144.09 2.68 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.949 2.1 . . . . 0.0 113.565 -155.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -89.99 122.14 32.72 Favored 'General case' 0 C--O 1.231 0.081 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 165.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.3 t -106.82 135.41 45.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 158.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 m -137.44 102.29 4.74 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.0 tmm? -115.55 161.34 18.76 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.921 0.889 . . . . 0.0 109.803 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -155.1 153.26 30.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 122.191 0.996 . . . . 0.0 111.134 174.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.3 mt -140.68 173.85 11.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 126.21 1.804 . . . . 0.0 109.071 -174.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -109.52 131.81 54.72 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 122.046 0.927 . . . . 0.0 110.478 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.14 164.03 26.04 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.862 1.665 . . . . 0.0 111.03 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.92 -31.55 66.9 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.155 0.982 . . . . 0.0 113.172 173.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -74.75 -2.92 28.62 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.469 0.652 . . . . 0.0 112.542 175.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.7 8.72 79.56 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.245 1.403 . . . . 0.0 113.533 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -89.03 152.52 21.64 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.648 1.179 . . . . 0.0 111.164 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -89.52 135.66 33.47 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.097 173.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -122.37 146.82 46.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.651 0.78 . . . . 0.0 109.834 171.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -97.68 160.5 14.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.618 -174.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -147.54 69.26 1.14 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.01 2.124 . . . . 0.0 107.558 -171.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -73.57 133.78 43.61 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.079 1.752 . . . . 0.0 111.05 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -148.96 83.24 1.45 Allowed 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 125.472 1.509 . . . . 0.0 110.661 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.479 ' HE2' HG12 ' A' ' 55' ' ' VAL . 60.2 tttm -88.75 155.73 19.39 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.845 0.355 . . . . 0.0 111.507 168.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.5 33.8 9.95 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.917 -0.583 . . . . 0.0 113.759 170.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.38 -166.09 1.79 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.647 1.179 . . . . 0.0 110.194 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.0 p -135.83 -179.83 5.9 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.137 -0.977 . . . . 0.0 113.249 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.57 -36.02 81.35 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.596 -0.69 . . . . 0.0 112.618 -175.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.4 m -68.81 -22.38 64.26 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 173.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -85.65 -30.43 23.23 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.297 1.039 . . . . 0.0 111.08 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -62.13 -38.65 89.73 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.314 -0.867 . . . . 0.0 112.045 168.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -56.55 -37.12 70.08 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.187 0.903 . . . . 0.0 112.643 172.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.7 t -68.8 -48.54 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 123.792 0.837 . . . . 0.0 110.749 175.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.97 -53.13 61.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.557 1.143 . . . . 0.0 111.72 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -61.41 -44.02 97.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.688 0.795 . . . . 0.0 111.594 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.99 -25.07 70.6 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.645 0.641 . . . . 0.0 114.221 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -78.86 -21.9 46.83 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.405 1.102 . . . . 0.0 113.272 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.8 m -55.87 -62.02 1.98 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.57 1.548 . . . . 0.0 113.29 -170.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 48.29 35.9 6.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.855 1.662 . . . . 0.0 114.836 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -141.41 20.99 2.22 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.297 1.039 . . . . 0.0 112.094 -171.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 62.01 7.91 2.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.365 2.266 . . . . 0.0 116.361 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm 63.34 152.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 127.598 2.359 . . . . 0.0 113.351 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.4 mm -113.61 -59.33 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 CA-C-N 114.59 -1.186 . . . . 0.0 107.936 162.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -149.94 147.71 28.22 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 120.899 0.38 . . . . 0.0 111.272 171.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 pp -136.63 158.09 45.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.622 0.725 . . . . 0.0 111.475 163.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -135.27 145.42 47.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 127.884 2.474 . . . . 0.0 108.542 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 tt -140.62 144.68 35.91 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.519 1.128 . . . . 0.0 108.761 166.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -150.95 122.07 7.72 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.042 1.337 . . . . 0.0 108.487 -173.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 133.44 48.19 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 122.413 1.101 . . . . 0.0 110.229 165.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.479 HG12 ' HE2' ' A' ' 29' ' ' LYS . 33.3 m -105.33 158.65 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.23 -167.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.6 tp . . . . . 0 C--O 1.253 1.271 0 CA-C-N 112.125 -2.307 . . . . 0.0 111.395 172.713 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tmm? . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.48 -32.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 124.868 1.355 . . . . 0.0 111.916 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -85.69 84.42 7.59 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.419 1.087 . . . . 0.0 110.431 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -79.27 -9.27 59.54 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.525 -1.216 . . . . 0.0 112.713 173.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -78.81 -32.82 46.45 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.422 1.489 . . . . 0.0 112.666 -174.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -139.95 81.19 1.81 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 126.411 1.885 . . . . 0.0 106.93 167.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -81.07 52.03 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 124.376 1.071 . . . . 0.0 112.693 -167.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.45 ' CG ' ' H ' ' B' ' 9' ' ' SER . 23.5 t70 65.42 170.86 0.21 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 127.718 2.407 . . . . 0.0 114.17 -170.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.45 ' H ' ' CG ' ' B' ' 8' ' ' ASP . 20.2 m 64.73 162.43 0.13 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.969 2.508 . . . . 0.0 113.339 -173.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -60.69 159.9 10.12 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.258 1.023 . . . . 0.0 112.127 -169.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -117.79 142.5 47.21 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.364 1.466 . . . . 0.0 109.45 171.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t -123.85 92.97 2.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 C-N-CA 126.338 1.855 . . . . 0.0 108.01 175.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 21.2 m -85.04 105.26 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.318 1.047 . . . . 0.0 108.485 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 4.0 mmt -114.3 150.15 34.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 125.388 1.475 . . . . 0.0 111.608 -169.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.31 113.64 8.51 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.074 0.95 . . . . 0.0 110.435 174.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.72 173.2 8.71 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.708 1.603 . . . . 0.0 109.921 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -116.86 130.35 56.65 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.593 0.757 . . . . 0.0 110.194 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -76.9 165.16 25.06 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.17 0.988 . . . . 0.0 111.849 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -57.38 -28.62 63.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.426 1.49 . . . . 0.0 113.839 173.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.53 -10.46 59.81 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.857 1.263 . . . . 0.0 112.862 172.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.78 3.69 73.68 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.997 1.284 . . . . 0.0 113.365 -175.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -80.16 117.39 20.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.068 1.347 . . . . 0.0 109.826 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -76.39 127.45 32.88 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 169.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -132.47 131.1 41.34 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.86 0.838 . . . . 0.0 111.358 -175.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -75.35 149.87 38.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.01 165.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -149.11 147.14 28.13 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.52 0.728 . . . . 0.0 110.521 160.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -115.31 86.93 2.55 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.714 1.606 . . . . 0.0 108.983 -168.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -85.93 85.3 7.38 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -86.27 164.6 17.05 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 125.06 1.344 . . . . 0.0 112.066 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.39 36.48 55.01 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.168 0.889 . . . . 0.0 113.661 166.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.38 -161.35 1.17 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.716 0.806 . . . . 0.0 111.108 -173.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 51.7 p -143.02 -176.59 4.97 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.086 -1.009 . . . . 0.0 112.94 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.2 -34.91 79.49 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -174.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.0 p -68.07 -25.24 65.24 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.277 -0.889 . . . . 0.0 112.684 173.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -80.93 -29.97 35.37 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.1 0.96 . . . . 0.0 112.211 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -59.28 -46.59 88.12 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.503 -0.748 . . . . 0.0 111.193 165.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.92 -27.73 69.02 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.475 0.71 . . . . 0.0 112.772 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.34 -51.37 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.756 170.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -54.39 47.11 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.36 0.982 . . . . 0.0 110.347 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -61.18 -41.42 96.76 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.386 1.074 . . . . 0.0 112.413 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.74 -36.03 30.25 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 124.014 0.816 . . . . 0.0 114.021 -174.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -79.47 -29.8 41.87 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.093 0.946 . . . . 0.0 111.63 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 58.2 m -65.66 -50.37 65.18 Favored 'General case' 0 C--O 1.227 -0.092 0 C-N-CA 123.37 0.668 . . . . 0.0 111.472 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 47.13 39.07 7.53 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.903 1.681 . . . . 0.0 114.779 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -126.93 165.32 19.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.255 1.022 . . . . 0.0 110.45 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.88 110.37 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 123.115 1.436 . . . . 0.0 111.144 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.92 148.74 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 113.978 -1.465 . . . . 0.0 110.824 -177.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -101.25 -59.91 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -139.25 155.05 48.03 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.682 0.793 . . . . 0.0 110.298 165.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 pp -147.06 165.79 28.84 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.689 0.757 . . . . 0.0 111.791 159.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -141.95 161.42 38.02 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.524 1.93 . . . . 0.0 110.402 168.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.7 tp -139.46 135.84 33.98 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 126.103 1.761 . . . . 0.0 106.257 158.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -143.36 115.35 8.32 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.543 1.137 . . . . 0.0 108.854 -167.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.79 113.63 12.29 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 167.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.12 151.64 8.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 114.085 -1.416 . . . . 0.0 111.981 -159.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-N 112.825 -1.988 . . . . 0.0 114.368 -172.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 CA--C 1.54 0.592 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -149.35 -174.49 4.68 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 128.749 2.819 . . . . 0.0 109.308 -169.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -45.35 126.57 6.54 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.542 1.537 . . . . 0.0 113.086 -168.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.25 127.37 31.97 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.883 0.873 . . . . 0.0 109.27 168.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -126.62 129.01 71.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 125.331 1.453 . . . . 0.0 108.335 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 m -136.82 102.82 5.0 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -174.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.4 mtm -108.52 165.28 11.64 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.482 0.658 . . . . 0.0 112.574 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -145.72 118.98 8.91 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 127.003 2.121 . . . . 0.0 109.146 -176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -126.1 160.3 30.51 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.051 0.94 . . . . 0.0 109.893 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -102.6 128.0 49.46 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.54 0.736 . . . . 0.0 111.734 -171.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -75.21 163.37 27.59 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.427 1.091 . . . . 0.0 112.332 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -58.02 -25.07 60.67 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.517 1.127 . . . . 0.0 113.176 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.35 -9.85 37.3 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.68 14.63 69.94 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 124.89 1.234 . . . . 0.0 113.674 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -121.65 157.84 29.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 125.162 1.385 . . . . 0.0 111.072 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.0 150.75 24.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.504 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -128.62 146.97 50.71 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.901 1.68 . . . . 0.0 109.67 167.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -85.9 156.09 20.66 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.993 0.917 . . . . 0.0 113.01 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -132.07 77.34 1.75 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.442 2.297 . . . . 0.0 107.69 164.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -73.68 127.17 32.04 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.456 1.103 . . . . 0.0 110.634 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -144.72 94.5 2.56 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.719 1.608 . . . . 0.0 110.137 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -79.54 162.72 25.2 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.058 -0.401 . . . . 0.0 110.332 168.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.49 33.2 72.01 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-O 119.451 -0.638 . . . . 0.0 113.75 172.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.23 -176.16 3.14 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 122.175 0.988 . . . . 0.0 110.586 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.4 p -132.51 175.73 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 124.186 0.994 . . . . 0.0 110.498 165.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.489 HD11 HG21 ' B' ' 47' ' ' ILE . 11.9 mt -60.13 -35.52 75.47 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.659 -0.651 . . . . 0.0 112.133 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.2 m -67.83 -35.41 78.55 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.811 -0.556 . . . . 0.0 112.138 174.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -74.96 -31.43 61.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.537 0.735 . . . . 0.0 111.788 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -59.12 -46.32 88.63 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.679 0.792 . . . . 0.0 111.624 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -56.96 -39.03 73.83 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.536 0.607 . . . . 0.0 112.18 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.45 -53.74 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 122.803 0.441 . . . . 0.0 110.492 172.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.06 -51.42 69.37 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.689 0.677 . . . . 0.0 112.161 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -60.47 -36.6 78.67 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.105 1.362 . . . . 0.0 112.361 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.14 -30.14 35.38 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.311 -0.716 . . . . 0.0 114.88 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -99.22 -26.3 14.23 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.708 1.254 . . . . 0.0 112.998 -169.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -71.44 -33.27 69.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.318 0.508 . . . . 0.0 111.562 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.23 -1.78 0.06 Allowed 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 118.832 2.901 . . . . 0.0 118.832 161.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.51 -178.22 6.98 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.71 87.51 0.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.134 0.974 . . . . 0.0 110.947 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.51 132.63 33.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.835 1.654 . . . . 0.0 111.23 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mm -119.22 -47.68 3.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 C-N-CA 126.839 2.055 . . . . 0.0 108.965 -171.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.468 ' NZ ' ' OD2' ' B' ' 53' ' ' ASP . 45.4 mttm -136.03 156.49 48.65 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 118.909 0.777 . . . . 0.0 110.989 167.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 pp -144.82 160.59 41.02 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.69 158.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.0 mtm-85 -138.85 151.03 46.65 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 126.566 1.946 . . . . 0.0 111.045 173.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 tt -137.06 140.75 42.24 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.682 1.593 . . . . 0.0 108.633 160.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -145.68 118.15 8.52 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.67 1.588 . . . . 0.0 108.374 -172.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 145.6 53.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.379 174.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 122.775 1.274 . . . . 0.0 112.957 -170.237 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 N--CA 1.464 0.258 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -139.75 174.11 10.85 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.64 2.376 . . . . 0.0 108.553 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -45.84 150.72 0.51 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.212 1.805 . . . . 0.0 112.583 -167.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -104.58 138.98 40.11 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.525 1.93 . . . . 0.0 109.491 169.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -128.81 117.06 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 127.03 2.132 . . . . 0.0 108.616 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 27.6 m -111.35 130.0 55.82 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 29.7 ttm -139.05 149.6 44.8 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.396 0.617 . . . . 0.0 111.61 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -141.18 119.88 12.52 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.49 1.116 . . . . 0.0 109.73 -173.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.8 mt -127.5 165.69 19.39 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.226 1.41 . . . . 0.0 109.718 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -113.75 149.71 34.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 122.341 1.067 . . . . 0.0 112.51 -176.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.74 177.36 4.79 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.812 2.045 . . . . 0.0 111.541 -173.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.19 -30.96 69.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.465 1.106 . . . . 0.0 113.935 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -81.77 -8.7 59.72 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.959 0.799 . . . . 0.0 112.75 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.04 22.11 77.11 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.049 0.833 . . . . 0.0 114.064 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -98.09 -15.32 20.03 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.586 1.155 . . . . 0.0 113.472 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 76.76 157.37 0.18 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.928 2.491 . . . . 0.0 113.018 167.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -139.74 118.74 12.59 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 122.407 1.099 . . . . 0.0 110.563 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -93.18 140.73 29.2 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 127.964 2.505 . . . . 0.0 110.059 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -150.63 153.74 36.22 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 122.51 0.324 . . . . 0.0 110.755 165.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -120.19 150.85 39.99 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 122.709 1.243 . . . . 0.0 111.488 170.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -143.97 94.5 2.59 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.359 1.864 . . . . 0.0 107.706 -166.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.7 167.73 11.39 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.118 0.785 . . . . 0.0 113.118 -173.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.8 37.0 57.47 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 -175.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -138.81 -167.52 2.23 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.692 1.597 . . . . 0.0 109.964 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.3 p -135.06 178.93 6.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 74.0 mt -57.65 -37.78 73.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.218 1.007 . . . . 0.0 112.576 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 18.8 m -65.11 -30.29 71.22 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -82.34 -32.22 29.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.558 1.143 . . . . 0.0 111.683 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -57.35 -47.58 81.22 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.943 0.897 . . . . 0.0 111.6 164.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.12 -31.27 67.0 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.912 0.885 . . . . 0.0 112.688 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.19 -55.33 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.0 170.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.51 -43.44 97.08 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.325 0.966 . . . . 0.0 112.32 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -58.46 -46.42 86.61 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.506 0.722 . . . . 0.0 111.844 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.57 -27.1 70.08 Favored Glycine 0 CA--C 1.536 1.391 0 N-CA-C 114.632 0.613 . . . . 0.0 114.632 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -76.75 -23.69 53.0 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.553 1.541 . . . . 0.0 112.845 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 34.7 m -49.83 -65.19 0.61 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.677 1.591 . . . . 0.0 112.5 -170.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 45.09 29.05 0.45 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.39 1.876 . . . . 0.0 115.674 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -143.25 177.8 8.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.887 1.675 . . . . 0.0 110.461 -168.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.89 93.53 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.626 1.571 . . . . 0.0 111.631 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.489 HG21 HD11 ' A' ' 33' ' ' LEU . 5.8 tp -71.31 132.1 33.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 127.36 2.264 . . . . 0.0 111.741 170.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mm -124.89 -58.8 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.142 0 C-N-CA 126.302 1.841 . . . . 0.0 108.419 -176.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -137.45 154.47 49.92 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.102 0.953 . . . . 0.0 111.983 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.1 tt -150.39 136.61 18.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.448 1.899 . . . . 0.0 107.812 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -143.38 148.27 35.95 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.933 1.293 . . . . 0.0 110.201 173.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 tt -137.31 148.79 46.59 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.238 1.415 . . . . 0.0 109.296 167.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.468 ' OD2' ' NZ ' ' A' ' 49' ' ' LYS . 8.4 t0 -153.05 104.5 2.83 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.634 1.573 . . . . 0.0 108.052 -170.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.22 101.53 0.56 Allowed 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.178 -0.951 . . . . 0.0 108.893 169.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 32.8 m -55.02 144.48 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 114.473 -1.24 . . . . 0.0 112.95 -172.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.9 tp . . . . . 0 C--O 1.254 1.323 0 C-N-CA 129.905 3.282 . . . . 0.0 115.497 -177.344 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.547 0.836 0 N-CA-C 117.732 2.493 . . . . 0.0 117.732 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.8 p 65.67 176.08 0.22 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 131.183 3.793 . . . . 0.0 115.243 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.515 ' CZ ' HD21 ' A' ' 33' ' ' LEU . 61.1 m-85 -70.77 140.92 51.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 120.846 -1.159 . . . . 0.0 108.906 152.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -139.51 124.89 19.1 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 126.166 1.787 . . . . 0.0 107.651 -168.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 t -128.97 132.32 67.46 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 124.993 1.317 . . . . 0.0 109.858 -165.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 m -116.2 122.74 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.333 1.453 . . . . 0.0 107.751 164.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.1 ttp -131.67 153.36 50.07 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 pp -152.27 151.42 30.9 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.418 1.104 . . . . 0.0 111.436 169.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -126.45 175.77 7.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.59 1.956 . . . . 0.0 109.697 -169.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -115.75 138.78 50.79 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.224 1.01 . . . . 0.0 111.183 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -80.86 161.15 24.55 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.348 1.859 . . . . 0.0 110.92 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.96 -31.22 62.79 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.528 1.531 . . . . 0.0 113.073 168.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' OD2' ' NZ ' ' A' ' 22' ' ' LYS . 30.1 t70 -74.51 -8.87 57.75 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 173.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.75 3.22 71.28 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.165 1.364 . . . . 0.0 114.447 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 62.9 mttp -83.05 160.17 22.0 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.39 1.076 . . . . 0.0 110.495 174.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -86.22 153.46 22.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.957 0.408 . . . . 0.0 111.215 170.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -138.35 148.82 44.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.485 0.66 . . . . 0.0 110.874 163.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -121.39 138.76 54.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.841 1.256 . . . . 0.0 111.418 -156.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -138.56 75.45 1.52 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.242 1.817 . . . . 0.0 108.91 -167.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -81.98 134.1 35.35 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.651 -0.656 . . . . 0.0 109.881 166.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -146.91 120.17 8.93 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 125.792 1.637 . . . . 0.0 109.575 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -121.03 162.62 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.787 1.235 . . . . 0.0 109.851 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.49 32.07 8.43 Favored Glycine 0 N--CA 1.464 0.547 0 O-C-N 123.437 0.461 . . . . 0.0 112.33 164.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 pp -137.35 -174.71 3.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.784 1.234 . . . . 0.0 111.258 -168.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 p -138.47 -175.58 4.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.437 167.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.515 HD21 ' CZ ' ' A' ' 10' ' ' TYR . 3.1 mm? -60.13 -33.85 72.72 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.7 m -66.77 -25.53 66.53 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 176.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.25 -31.35 27.03 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.913 0.885 . . . . 0.0 111.819 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -62.8 -40.65 98.0 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.346 -0.846 . . . . 0.0 111.488 168.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.09 -29.69 68.74 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.437 0.695 . . . . 0.0 112.608 175.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -73.47 -48.56 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.412 0.685 . . . . 0.0 110.641 170.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.1 tp -53.21 -52.66 58.19 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.953 0.797 . . . . 0.0 111.249 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.28 -59.01 5.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.338 1.055 . . . . 0.0 111.017 171.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.87 -18.95 55.16 Favored Glycine 0 C--N 1.343 0.956 0 C-N-CA 124.972 1.272 . . . . 0.0 115.473 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -113.16 -15.81 12.69 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.88 -11.49 2.99 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -164.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.08 72.71 0.61 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.526 1.057 . . . . 0.0 112.229 177.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -122.4 99.96 6.69 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.532 1.533 . . . . 0.0 110.414 -170.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 56.17 64.55 1.68 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.628 1.571 . . . . 0.0 110.975 -161.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 tp -67.0 135.04 29.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 C-N-CA 124.659 1.183 . . . . 0.0 111.922 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.6 mm -118.65 -54.54 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 126.938 2.095 . . . . 0.0 109.129 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -135.71 150.56 49.59 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.878 0.871 . . . . 0.0 111.521 174.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tp -147.97 131.7 16.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.065 2.146 . . . . 0.0 108.018 173.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -143.61 111.05 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.552 1.941 . . . . 0.0 107.037 -175.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 tt -125.14 141.47 52.09 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.079 0.951 . . . . 0.0 109.691 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -137.28 140.16 41.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.051 1.34 . . . . 0.0 107.754 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 2.4 tmtt? -67.7 104.84 1.74 Allowed 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 143.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.235 0.313 0 CA-C-O 123.82 1.772 . . . . 0.0 108.677 166.807 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.777 0.798 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.7 m -153.19 174.54 14.13 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.066 1.346 . . . . 0.0 109.161 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -42.6 139.22 1.62 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.271 1.828 . . . . 0.0 114.145 -162.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -97.26 114.59 26.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 126.55 1.94 . . . . 0.0 109.86 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.449 HG11 HD23 ' B' ' 39' ' ' LEU . 55.9 t -107.8 142.43 20.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 C-N-CA 125.003 1.321 . . . . 0.0 109.813 172.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.2 m -138.59 109.99 6.97 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.361 1.464 . . . . 0.0 107.536 174.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 37.1 ttp -131.31 156.76 44.91 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.723 0.409 . . . . 0.0 110.939 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.46 161.14 42.56 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 123.71 1.719 . . . . 0.0 112.005 165.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.61 178.71 8.82 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 127.786 2.434 . . . . 0.0 107.544 169.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -88.8 127.66 35.62 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.85 -0.531 . . . . 0.0 112.168 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.77 -179.32 8.08 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.26 -48.39 0.49 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 130.316 3.446 . . . . 0.0 115.289 166.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -138.44 14.17 2.77 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.655 1.582 . . . . 0.0 112.271 -172.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.92 26.7 70.47 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.515 0.579 . . . . 0.0 112.262 -172.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -131.61 167.23 19.78 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 125.489 1.516 . . . . 0.0 110.07 -173.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -67.75 143.29 55.95 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.985 0.898 . . . . 0.0 111.968 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -141.43 112.74 7.48 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 113.987 -1.46 . . . . 0.0 108.758 -162.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -100.76 155.38 17.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 123.265 1.507 . . . . 0.0 114.056 -157.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -142.78 72.52 1.37 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.994 2.518 . . . . 0.0 107.774 -171.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -78.94 120.08 23.03 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.582 1.153 . . . . 0.0 109.472 169.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -147.03 95.01 2.5 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.986 0.914 . . . . 0.0 111.065 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 168.47 10.23 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 168.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.36 30.1 42.4 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-O 119.914 -0.381 . . . . 0.0 112.753 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -132.6 -172.33 2.88 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.443 1.097 . . . . 0.0 110.39 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.9 p -132.14 -176.89 4.22 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.042 -1.036 . . . . 0.0 112.098 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.0 -33.74 72.41 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 120.563 -1.335 . . . . 0.0 112.757 -167.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 78.3 p -68.46 -26.79 65.68 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 170.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -78.53 -34.24 47.34 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.814 0.846 . . . . 0.0 111.231 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -60.91 -43.69 98.19 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.448 0.699 . . . . 0.0 111.371 168.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -57.88 -36.72 72.76 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 173.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.22 -48.51 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 122.729 0.412 . . . . 0.0 110.537 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.449 HD23 HG11 ' B' ' 12' ' ' VAL . 67.6 tp -57.31 -50.71 72.05 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.724 0.81 . . . . 0.0 112.075 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.4 -47.54 85.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.177 0.991 . . . . 0.0 111.472 174.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.38 -26.53 74.47 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-O 119.299 -0.723 . . . . 0.0 114.766 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -77.33 -17.73 58.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.333 1.053 . . . . 0.0 113.124 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.481 HG22 ' H ' ' B' ' 45' ' ' ASP . 51.9 m -57.0 -50.18 73.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.596 1.558 . . . . 0.0 112.944 -171.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.17 26.41 2.87 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.01 1.724 . . . . 0.0 115.191 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.481 ' H ' HG22 ' B' ' 43' ' ' THR . 21.5 t0 -133.68 173.41 11.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.019 1.727 . . . . 0.0 110.202 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -70.73 113.81 8.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.693 0.759 . . . . 0.0 110.58 168.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.15 138.03 18.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.755 167.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.0 mm -113.88 -48.65 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 124.623 1.169 . . . . 0.0 108.755 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -151.15 138.37 19.3 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.188 0.449 . . . . 0.0 111.286 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -141.84 155.53 45.56 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 122.823 1.297 . . . . 0.0 112.28 165.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.9 ttp-105 -138.84 148.27 43.51 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.647 1.979 . . . . 0.0 109.11 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 tt -145.36 139.44 26.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.594 1.557 . . . . 0.0 109.173 172.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.57 139.25 42.03 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 126.035 1.734 . . . . 0.0 109.28 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.69 155.74 25.55 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.502 1.144 . . . . 0.0 111.564 154.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.3 m -118.09 165.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 113.282 -1.781 . . . . 0.0 110.207 -177.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 C--O 1.248 0.976 0 CA-C-O 116.094 -1.907 . . . . 0.0 111.849 175.031 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 . . . . . 0 CA--C 1.537 0.446 0 CA-C-O 121.321 0.581 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t 96.54 175.44 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 129.05 2.94 . . . . 0.0 108.799 -154.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -46.0 125.1 6.01 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.426 1.89 . . . . 0.0 114.196 -154.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -94.07 117.18 29.73 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.427 2.291 . . . . 0.0 107.144 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.3 t -133.29 94.62 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 127.933 2.493 . . . . 0.0 109.28 -167.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.1 m -85.39 141.39 30.03 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.596 0.758 . . . . 0.0 109.23 170.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.5 ttm -143.43 152.29 41.37 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 123.481 0.712 . . . . 0.0 110.744 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -144.2 122.53 12.32 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 126.753 2.021 . . . . 0.0 109.551 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mp -122.59 166.15 15.31 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.861 1.265 . . . . 0.0 109.533 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -108.89 129.41 55.41 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.356 0.598 . . . . 0.0 111.958 -175.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -71.21 160.48 32.76 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.961 1.304 . . . . 0.0 111.617 172.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -60.59 -25.85 66.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.053 0.941 . . . . 0.0 113.329 173.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -74.23 -2.38 24.62 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.322 1.049 . . . . 0.0 112.547 171.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.27 8.78 77.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 120.724 -1.235 . . . . 0.0 114.658 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -103.99 159.36 15.73 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.485 1.514 . . . . 0.0 111.514 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -75.71 151.62 37.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 111.7 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -131.65 143.42 50.29 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 122.117 0.961 . . . . 0.0 110.166 156.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -107.89 137.56 45.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 127.147 2.179 . . . . 0.0 110.582 -162.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -145.02 71.68 1.31 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.959 1.304 . . . . 0.0 108.891 -162.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -92.71 135.62 33.95 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.952 1.301 . . . . 0.0 112.274 -173.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -135.7 146.48 47.78 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 126.013 1.725 . . . . 0.0 109.808 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -140.6 153.83 46.23 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.062 0.945 . . . . 0.0 109.151 171.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.62 22.17 56.58 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 119.58 -0.567 . . . . 0.0 113.216 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.83 -175.64 5.68 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.148 0.975 . . . . 0.0 111.258 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 p -133.37 179.81 5.98 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.313 -0.867 . . . . 0.0 110.279 153.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.19 -31.88 73.14 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.185 -0.947 . . . . 0.0 112.314 -173.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.6 m -66.31 -33.74 76.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.27 1.028 . . . . 0.0 112.218 173.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -78.52 -32.7 48.16 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.081 0.952 . . . . 0.0 110.881 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -62.4 -44.33 96.69 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.168 0.987 . . . . 0.0 112.006 167.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -54.94 -44.97 74.78 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.037 0.835 . . . . 0.0 111.711 171.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.05 -53.45 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.34 173.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.7 tp -55.77 -52.58 63.48 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.386 0.994 . . . . 0.0 112.928 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.9 -34.48 78.06 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.352 1.061 . . . . 0.0 112.448 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.27 -23.09 52.75 Favored Glycine 0 CA--C 1.535 1.33 0 CA-C-O 119.201 -0.777 . . . . 0.0 114.657 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -87.55 -36.73 17.41 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.196 1.398 . . . . 0.0 111.34 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.5 p -73.0 -74.19 0.18 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.736 0.814 . . . . 0.0 111.383 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.33 -1.13 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 129.406 3.082 . . . . 0.0 117.335 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -81.82 68.72 8.3 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.86 2.464 . . . . 0.0 112.42 -166.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 61.9 60.5 1.54 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.789 1.236 . . . . 0.0 110.586 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.64 121.12 10.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 125.958 1.703 . . . . 0.0 110.962 175.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 mm -96.73 -69.88 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 105.591 -2.004 . . . . 0.0 105.591 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -135.23 158.03 45.41 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 pp -141.35 156.57 45.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.405 167.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.35 103.6 4.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.282 1.433 . . . . 0.0 108.755 -177.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 tt -109.9 136.42 49.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.799 1.64 . . . . 0.0 110.348 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.54 138.97 46.33 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 126.626 1.97 . . . . 0.0 109.4 171.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 149.38 49.95 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.686 155.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.3 t . . . . . 0 C--N 1.329 -0.304 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.84 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 CA--C 1.545 0.782 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m 69.95 -165.24 0.17 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.611 1.165 . . . . 0.0 111.325 168.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -94.89 146.16 24.41 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.577 1.151 . . . . 0.0 109.512 156.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -93.87 138.38 32.08 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.125 1.77 . . . . 0.0 108.081 157.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.9 112.48 31.96 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 126.302 1.841 . . . . 0.0 108.19 171.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 21.5 m -121.63 95.18 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.473 1.509 . . . . 0.0 107.546 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 38.9 ttp -122.19 156.87 32.83 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.552 1.141 . . . . 0.0 111.557 -166.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 tt -149.2 127.37 12.06 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.995 0.918 . . . . 0.0 111.461 -170.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -122.81 175.64 6.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.926 2.09 . . . . 0.0 110.937 -172.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -133.45 117.71 17.52 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 123.419 0.688 . . . . 0.0 110.169 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -71.65 168.46 17.65 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.416 0.686 . . . . 0.0 112.202 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.04 -26.98 68.57 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.881 1.672 . . . . 0.0 113.497 -172.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -80.36 -0.0 34.98 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.138 1.375 . . . . 0.0 113.398 171.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.8 2.38 72.24 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.762 1.649 . . . . 0.0 113.957 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.56 125.67 33.95 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.572 1.686 . . . . 0.0 110.987 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -71.41 142.17 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.076 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -147.99 162.56 39.09 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.692 0.797 . . . . 0.0 109.977 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.4 159.13 35.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 122.374 1.083 . . . . 0.0 113.637 -171.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -136.47 89.89 2.51 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 128.812 2.845 . . . . 0.0 107.189 -166.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -106.76 104.46 14.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.919 2.088 . . . . 0.0 109.232 -168.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -136.34 85.5 2.15 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 125.566 1.546 . . . . 0.0 111.802 -162.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -69.22 165.12 21.18 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.009 0.924 . . . . 0.0 110.667 163.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.92 17.7 80.19 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.059 -0.856 . . . . 0.0 114.34 171.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -100.36 178.99 4.59 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.576 1.15 . . . . 0.0 111.973 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.5 p -136.46 177.62 7.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.844 1.258 . . . . 0.0 111.288 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.73 -31.76 71.05 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.889 0.876 . . . . 0.0 113.286 -174.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.2 p -77.88 -30.95 51.04 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.819 1.247 . . . . 0.0 112.421 174.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -73.45 -32.2 64.23 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.265 -0.897 . . . . 0.0 111.442 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -59.44 -44.09 92.99 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.526 0.73 . . . . 0.0 111.984 169.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -58.98 -36.26 74.58 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.145 0.978 . . . . 0.0 111.783 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -63.28 -52.78 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.278 0.631 . . . . 0.0 110.437 172.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.16 -53.19 61.06 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.824 0.85 . . . . 0.0 112.142 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -66.33 -33.98 76.94 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.694 0.798 . . . . 0.0 112.398 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.8 -26.36 56.33 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.628 -1.095 . . . . 0.0 114.463 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -87.65 -32.16 19.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.306 1.553 . . . . 0.0 111.705 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.1 p -72.67 131.91 43.01 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.914 -0.492 . . . . 0.0 111.284 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.81 -5.33 11.55 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.496 1.119 . . . . 0.0 113.23 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -76.64 44.06 0.35 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.428 2.291 . . . . 0.0 112.495 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 47.98 -126.46 1.82 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 127.435 2.294 . . . . 0.0 111.83 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.8 tp -168.83 135.07 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.362 1.865 . . . . 0.0 109.398 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.6 mm -123.76 -55.68 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 125.169 1.388 . . . . 0.0 108.799 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -133.39 151.55 51.84 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.566 1.146 . . . . 0.0 111.191 173.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 tp -151.51 122.68 7.71 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 125.109 1.364 . . . . 0.0 109.373 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -111.58 135.36 52.26 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 124.052 0.941 . . . . 0.0 108.761 158.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -128.26 133.14 48.74 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 162.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -152.18 109.49 3.57 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.999 0.52 . . . . 0.0 110.852 -162.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -69.24 104.78 2.31 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.765 0.793 . . . . 0.0 109.795 174.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -65.48 152.73 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 126.479 1.912 . . . . 0.0 109.893 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--O 1.249 1.051 0 C-N-CA 129.327 3.051 . . . . 0.0 110.971 -167.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -152.53 175.77 12.4 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.449 1.5 . . . . 0.0 111.029 -165.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -44.18 132.89 5.53 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.143 1.777 . . . . 0.0 114.084 -169.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -82.77 140.11 33.19 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.556 1.142 . . . . 0.0 108.819 160.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -135.28 89.43 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 125.772 1.629 . . . . 0.0 107.706 167.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.4 m -85.31 96.77 9.63 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 173.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.2 ttm -98.23 164.13 12.44 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.972 0.909 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -149.4 125.87 10.92 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.591 1.556 . . . . 0.0 109.503 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.9 mt -130.91 177.45 7.42 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 125.225 1.41 . . . . 0.0 110.624 -173.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -130.73 133.88 46.42 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.714 0.805 . . . . 0.0 110.896 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.68 162.55 27.63 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.129 1.372 . . . . 0.0 111.77 174.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.76 -31.24 66.31 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.917 1.287 . . . . 0.0 113.429 175.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -70.99 -10.55 59.93 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.574 0.749 . . . . 0.0 112.78 173.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.03 0.38 66.02 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 125.413 1.482 . . . . 0.0 113.426 -176.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -70.95 115.82 10.53 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.941 1.296 . . . . 0.0 110.43 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -80.13 137.58 36.75 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 122.962 0.505 . . . . 0.0 110.663 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -143.05 146.88 34.23 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.765 0.793 . . . . 0.0 111.93 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -83.57 151.03 25.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.904 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -137.05 79.46 1.75 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.04 2.536 . . . . 0.0 107.82 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -73.4 120.64 19.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.35 1.06 . . . . 0.0 110.406 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -140.0 91.97 2.51 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 123.872 0.869 . . . . 0.0 110.358 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -112.66 171.05 7.76 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.613 1.165 . . . . 0.0 112.869 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.37 38.34 94.86 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.943 0.782 . . . . 0.0 112.423 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -138.35 -161.08 1.13 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.682 1.193 . . . . 0.0 110.809 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -137.81 178.63 6.97 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 120.72 -1.238 . . . . 0.0 113.906 -173.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -36.0 81.7 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.385 -0.822 . . . . 0.0 112.638 -176.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.6 m -64.54 -29.16 70.19 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.424 -0.798 . . . . 0.0 112.292 172.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -81.6 -33.92 31.26 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.508 1.123 . . . . 0.0 111.43 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -57.12 -47.36 81.29 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.197 0.999 . . . . 0.0 111.567 165.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.17 -33.63 69.44 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.755 0.822 . . . . 0.0 112.722 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.49 -54.67 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.603 0.638 . . . . 0.0 110.642 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.6 tp -54.87 -50.93 67.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.957 0.799 . . . . 0.0 111.761 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.76 -51.13 70.67 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.548 1.139 . . . . 0.0 112.007 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.25 -20.48 76.69 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 119.158 -0.801 . . . . 0.0 114.551 -175.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -113.5 -21.9 10.6 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.39 1.095 . . . . 0.0 113.917 -170.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 m -128.24 -26.95 2.75 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -165.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.4 55.68 1.02 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -65.81 -41.46 91.86 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.508 1.123 . . . . 0.0 112.787 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -131.08 80.26 1.93 Allowed 'General case' 0 C--O 1.232 0.135 0 C-N-CA 126.226 1.81 . . . . 0.0 108.544 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.6 tp -71.36 118.86 16.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.836 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.3 mm -106.86 -50.26 8.02 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 C-N-CA 126.947 2.099 . . . . 0.0 107.912 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -152.53 154.41 35.38 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.249 0.477 . . . . 0.0 110.982 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.41 148.3 34.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.322 0.582 . . . . 0.0 111.168 155.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.97 92.99 3.21 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 126.562 1.945 . . . . 0.0 107.729 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.3 tt -93.05 137.44 32.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.282 1.033 . . . . 0.0 109.623 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -145.36 134.29 22.51 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.951 1.3 . . . . 0.0 109.503 174.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 144.02 14.56 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.104 0.478 . . . . 0.0 111.288 162.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.327 -0.374 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 171.814 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t 76.88 165.77 0.25 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 128.98 2.912 . . . . 0.0 112.23 -163.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -49.52 142.3 8.21 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 126.007 1.723 . . . . 0.0 114.108 -158.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -99.64 120.47 39.73 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.474 1.51 . . . . 0.0 108.858 170.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.412 HG22 HD12 ' B' ' 52' ' ' LEU . 70.9 t -108.5 114.88 47.86 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 125.296 1.438 . . . . 0.0 108.052 164.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 97.4 m -114.49 93.21 4.24 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp -108.98 161.48 15.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.213 1.005 . . . . 0.0 110.929 -174.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tt -150.35 124.0 9.14 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.046 0.939 . . . . 0.0 109.872 -173.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -117.33 166.3 12.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.444 1.098 . . . . 0.0 110.855 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -113.57 120.25 40.29 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.507 1.123 . . . . 0.0 109.971 162.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.85 162.49 23.97 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.453 1.501 . . . . 0.0 112.803 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.12 -23.35 65.45 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.097 1.359 . . . . 0.0 113.92 170.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -76.14 -2.73 32.46 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.369 0.986 . . . . 0.0 113.153 167.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.49 8.05 71.35 Favored Glycine 0 C--N 1.341 0.858 0 C-N-CA 124.919 1.247 . . . . 0.0 114.626 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -106.28 148.28 28.17 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 118.146 0.973 . . . . 0.0 112.436 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -90.4 136.55 32.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.908 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -140.13 143.06 36.01 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 122.096 0.95 . . . . 0.0 112.036 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -81.24 148.8 29.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.041 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -133.23 74.85 1.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.72 2.408 . . . . 0.0 107.49 170.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -77.87 125.19 28.97 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.255 1.422 . . . . 0.0 110.268 169.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -146.53 101.07 3.43 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 127.281 2.232 . . . . 0.0 110.405 -178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -107.67 153.5 22.83 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.692 0.797 . . . . 0.0 111.194 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.1 48.32 8.45 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 123.724 0.678 . . . . 0.0 112.702 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 pp -132.5 -165.87 1.66 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.717 1.207 . . . . 0.0 110.661 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.3 p -141.26 -178.28 5.52 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.465 -0.772 . . . . 0.0 111.465 172.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.78 -32.44 73.73 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -163.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 37.1 p -64.39 -29.6 70.66 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 170.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.25 -31.53 33.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.207 1.003 . . . . 0.0 111.279 175.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.53 -45.06 95.22 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.323 -0.86 . . . . 0.0 110.969 165.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -61.85 -29.03 69.91 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.77 -57.95 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 118.715 0.689 . . . . 0.0 109.833 165.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 19.9 tp -53.83 -48.38 69.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.023 0.929 . . . . 0.0 112.647 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -60.58 -31.91 71.04 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.111 1.365 . . . . 0.0 113.19 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.83 -24.91 16.17 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 118.628 0.649 . . . . 0.0 114.262 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -91.53 -31.9 15.76 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.53 1.132 . . . . 0.0 112.208 -172.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.0 p -64.24 -42.63 96.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.81 -9.21 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 128.512 2.725 . . . . 0.0 117.32 171.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.14 166.03 23.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.384 1.087 . . . . 0.0 112.233 166.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.36 120.48 16.08 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.289 1.036 . . . . 0.0 111.894 -171.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.82 129.61 27.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 124.534 1.134 . . . . 0.0 111.085 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mm -115.11 -56.85 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 127.406 2.282 . . . . 0.0 107.451 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -136.23 155.95 49.37 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.444 0.698 . . . . 0.0 111.48 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.9 tp -150.58 110.31 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.855 1.262 . . . . 0.0 108.786 172.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.72 111.5 23.72 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 124.553 1.141 . . . . 0.0 109.006 173.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.412 HD12 HG22 ' B' ' 12' ' ' VAL . 7.1 tt -109.26 139.63 43.93 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 169.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -148.78 119.81 7.69 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 123.944 0.898 . . . . 0.0 109.21 -174.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 125.75 27.07 Favored 'General case' 0 C--N 1.345 0.404 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 162.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 31.2 m -86.72 156.83 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.499 -155.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--O 1.249 1.039 0 C-N-CA 127.12 2.168 . . . . 0.0 111.905 170.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 t -146.75 176.96 9.47 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.1 1.76 . . . . 0.0 109.323 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -47.42 147.57 1.63 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.617 1.567 . . . . 0.0 114.263 -161.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.72 117.49 30.4 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 127.474 2.31 . . . . 0.0 109.286 -176.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.93 96.08 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.729 1.211 . . . . 0.0 110.563 -174.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -91.06 110.6 21.87 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.302 1.441 . . . . 0.0 109.431 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 tpt -121.57 147.18 46.16 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.358 1.463 . . . . 0.0 110.556 -163.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 tp -144.16 118.94 9.86 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 124.839 1.256 . . . . 0.0 111.488 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.34 171.13 7.7 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.487 172.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -123.71 126.85 47.27 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.512 1.125 . . . . 0.0 110.708 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -76.46 168.35 20.22 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.967 1.307 . . . . 0.0 110.512 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.72 -36.39 74.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.743 2.017 . . . . 0.0 113.348 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -81.32 -2.44 49.12 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.435 -0.791 . . . . 0.0 112.986 175.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.23 3.42 56.66 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 125.372 1.463 . . . . 0.0 113.894 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -70.47 117.41 11.97 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 118.643 1.221 . . . . 0.0 111.101 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -85.88 125.6 33.44 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 123.089 0.556 . . . . 0.0 110.47 176.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -127.06 113.64 16.71 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.854 0.835 . . . . 0.0 112.38 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -74.05 147.33 42.96 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.341 172.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -146.9 149.44 33.25 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.446 1.498 . . . . 0.0 110.35 164.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -118.56 108.99 15.65 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 124.681 1.192 . . . . 0.0 108.223 -170.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -114.46 81.51 1.56 Allowed 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 123.598 0.759 . . . . 0.0 108.997 -170.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -109.63 168.77 9.16 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.323 0.649 . . . . 0.0 112.746 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.28 37.98 63.01 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 123.703 0.668 . . . . 0.0 112.386 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 pp -135.55 -170.56 2.63 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.711 1.205 . . . . 0.0 110.233 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -133.3 -179.82 5.74 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 120.644 -1.285 . . . . 0.0 112.711 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.55 -32.39 71.45 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -172.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.5 m -69.14 -27.25 65.39 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -84.46 -30.67 25.06 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.681 1.192 . . . . 0.0 111.576 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -61.32 -42.29 98.42 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.523 -0.736 . . . . 0.0 111.451 165.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -60.95 -24.3 65.96 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.89 -49.27 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 118.638 0.654 . . . . 0.0 110.736 168.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.9 tp -56.15 -50.92 69.77 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.015 0.825 . . . . 0.0 111.463 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -64.62 -33.84 76.88 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.51 -23.02 55.16 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 115.049 0.78 . . . . 0.0 115.049 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -114.81 -31.56 6.09 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.511 1.155 . . . . 0.0 113.048 -172.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.1 m -127.22 -5.62 6.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.503 0.721 . . . . 0.0 112.382 -154.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.45 25.48 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.97 2.108 . . . . 0.0 115.096 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -62.96 99.77 0.18 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.166 2.186 . . . . 0.0 111.186 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 51.67 59.93 4.22 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.813 1.645 . . . . 0.0 113.267 -170.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.86 132.68 28.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.618 175.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.9 mm -115.81 -48.94 4.64 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 C-N-CA 127.063 2.145 . . . . 0.0 109.71 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -138.38 146.3 42.08 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.644 0.656 . . . . 0.0 110.722 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tt -151.25 103.06 2.98 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.186 1.394 . . . . 0.0 107.827 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -98.04 126.35 43.42 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.302 1.041 . . . . 0.0 108.905 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -124.85 133.44 53.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 170.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.43 134.77 46.55 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 125.086 1.355 . . . . 0.0 108.367 176.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 136.36 54.95 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.633 153.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.043 -170.177 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.236 0.366 0 CA-C-O 122.392 1.091 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.6 m 141.79 -177.46 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.473 2.709 . . . . 0.0 108.738 -147.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -93.2 161.79 14.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.759 1.266 . . . . 0.0 110.829 156.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -108.62 142.1 39.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 127.186 2.194 . . . . 0.0 107.446 163.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -131.4 91.82 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 124.889 1.276 . . . . 0.0 108.167 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 6.8 m -80.33 141.33 35.54 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 164.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 43.8 ttm -149.51 155.1 39.81 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.795 0.725 . . . . 0.0 111.698 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -145.61 119.82 9.53 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.908 0.883 . . . . 0.0 110.439 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -117.69 175.98 5.39 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 125.848 1.659 . . . . 0.0 110.86 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -127.48 131.42 50.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.618 0.767 . . . . 0.0 110.565 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -75.96 162.35 28.16 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.563 1.145 . . . . 0.0 111.629 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -61.2 -22.6 64.91 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.04 -7.28 54.31 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.919 0.782 . . . . 0.0 112.645 171.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.39 5.02 65.69 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.706 1.145 . . . . 0.0 114.041 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -95.13 145.59 24.9 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 118.108 0.954 . . . . 0.0 111.005 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -99.73 140.49 33.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.492 -171.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -138.77 154.51 48.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 122.227 1.013 . . . . 0.0 111.244 -178.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -120.96 145.85 47.29 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.161 -163.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -137.72 155.9 48.59 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.244 1.418 . . . . 0.0 110.529 174.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -141.76 138.56 32.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.131 0.972 . . . . 0.0 109.654 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -143.82 83.44 1.75 Allowed 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 124.417 1.087 . . . . 0.0 109.64 -171.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.62 163.26 24.74 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.566 0.747 . . . . 0.0 110.725 172.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.0 29.99 52.64 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-O 119.615 -0.547 . . . . 0.0 113.744 163.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.57 -168.94 2.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.516 1.126 . . . . 0.0 111.046 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 17.7 p -131.54 178.77 6.48 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.284 -0.885 . . . . 0.0 113.341 -167.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt -58.0 -39.34 78.01 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.45 0.7 . . . . 0.0 112.744 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -68.22 -19.29 64.74 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.52 -32.55 15.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.681 1.192 . . . . 0.0 111.611 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -57.28 -44.55 84.11 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.26 0.624 . . . . 0.0 111.252 164.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.19 -25.62 67.16 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.112 0.965 . . . . 0.0 113.351 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.19 -57.21 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.812 169.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.09 -48.87 80.04 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.035 0.834 . . . . 0.0 111.974 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -63.85 -38.62 91.78 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.01 -19.03 75.79 Favored Glycine 0 C--N 1.34 0.762 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 -177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -121.3 -28.51 4.66 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 5.1 m -129.48 -8.54 4.65 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.809 0.443 . . . . 0.0 111.66 -155.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.74 62.0 0.17 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.254 1.422 . . . . 0.0 113.625 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.85 86.51 7.36 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.214 2.206 . . . . 0.0 110.912 -168.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 55.43 75.26 0.33 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.608 1.563 . . . . 0.0 110.826 -164.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.83 129.29 35.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.144 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 40.9 mm -113.49 -43.74 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 128.421 2.688 . . . . 0.0 109.316 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -140.97 154.31 45.99 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.956 0.902 . . . . 0.0 110.851 168.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 pp -145.85 159.02 43.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.97 0.89 . . . . 0.0 110.758 152.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -140.51 107.85 5.53 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.726 1.211 . . . . 0.0 109.033 173.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 24.2 tp -96.44 121.52 38.34 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 124.827 1.251 . . . . 0.0 108.068 169.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -144.18 110.72 5.58 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -166.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -62.67 114.42 3.58 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-O 121.69 0.757 . . . . 0.0 111.628 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 t -72.52 153.81 7.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 124.788 1.235 . . . . 0.0 110.597 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 28.4 tp . . . . . 0 C--O 1.254 1.301 0 C-N-CA 127.978 2.511 . . . . 0.0 110.996 -178.505 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 . . . . . 0 CA--C 1.536 0.427 0 CA-C-O 121.959 0.885 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m 69.7 162.03 0.22 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 127.997 2.519 . . . . 0.0 113.5 -166.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -55.7 153.04 8.59 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.6 1.56 . . . . 0.0 113.781 -160.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -105.67 136.19 45.72 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 125.585 1.554 . . . . 0.0 109.332 170.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -127.42 140.95 47.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 126.196 1.799 . . . . 0.0 107.698 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.9 m -137.94 124.11 20.4 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.2 ttm -140.87 145.57 36.35 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.724 0.693 . . . . 0.0 112.811 -166.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.7 tp -123.03 122.34 38.27 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 127.025 2.13 . . . . 0.0 109.812 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -129.84 169.62 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.128 1.771 . . . . 0.0 109.402 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -135.44 111.89 9.88 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.633 0.73 . . . . 0.0 111.421 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.15 164.02 1.4 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.042 1.737 . . . . 0.0 112.249 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -59.74 -30.07 68.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.45 1.1 . . . . 0.0 112.674 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -74.5 -2.74 27.02 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.14 0.976 . . . . 0.0 112.899 172.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.69 6.57 85.37 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.791 1.186 . . . . 0.0 113.916 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -83.24 119.09 24.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.654 1.182 . . . . 0.0 110.409 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -74.48 138.55 43.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.767 0.318 . . . . 0.0 111.403 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -141.25 139.47 33.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 122.121 0.962 . . . . 0.0 111.62 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -122.04 129.74 52.68 Favored 'General case' 0 C--O 1.245 0.838 0 C-N-CA 126.238 1.815 . . . . 0.0 109.605 -170.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -144.6 149.84 36.45 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 124.732 1.27 . . . . 0.0 112.788 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -94.35 141.8 28.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.739 1.615 . . . . 0.0 109.628 167.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -145.72 92.6 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.641 1.576 . . . . 0.0 108.745 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.37 172.16 8.24 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.378 0.671 . . . . 0.0 112.107 -175.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.53 35.53 51.51 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 115.149 -0.932 . . . . 0.0 113.071 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -140.4 -166.96 2.23 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 125.157 1.383 . . . . 0.0 110.81 -171.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.1 p -134.78 179.92 6.0 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 120.954 -1.091 . . . . 0.0 113.632 -172.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD22 ' H ' ' A' ' 33' ' ' LEU . 2.2 mm? -66.09 -26.34 67.43 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -175.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.4 m -76.16 -28.59 57.42 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 124.13 0.972 . . . . 0.0 112.8 172.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -78.41 -29.33 47.14 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.695 0.798 . . . . 0.0 111.449 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.72 -45.14 93.07 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 118.824 -0.608 . . . . 0.0 111.342 164.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.44 -28.26 69.15 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 119.16 0.891 . . . . 0.0 113.067 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.5 t -67.5 -54.52 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 118.404 0.547 . . . . 0.0 110.319 169.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.1 tp -59.86 -42.71 94.27 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.88 0.764 . . . . 0.0 112.405 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -66.88 -47.75 70.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.357 1.463 . . . . 0.0 112.647 175.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.78 -33.53 9.04 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -168.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -81.4 -33.94 31.92 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.352 1.076 . . . . 0.0 112.656 -175.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 m -78.48 -26.74 46.14 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -160.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.02 2.68 0.11 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.312 2.645 . . . . 0.0 118.007 170.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -86.02 59.06 5.41 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.948 1.299 . . . . 0.0 111.696 -176.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 71.89 -28.98 0.19 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 129.866 3.266 . . . . 0.0 117.7 161.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm 58.45 110.76 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.257 1.823 . . . . 0.0 112.661 -172.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.8 mm -114.19 -54.24 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 113.86 -1.518 . . . . 0.0 108.385 -173.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -143.5 155.95 44.48 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.895 0.878 . . . . 0.0 110.043 168.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 pp -151.67 162.88 40.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.926 0.87 . . . . 0.0 111.578 162.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 ttp-105 -137.56 151.67 48.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 127.197 2.199 . . . . 0.0 109.33 171.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 tt -145.99 144.64 30.23 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.668 1.587 . . . . 0.0 108.983 172.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.71 134.28 30.09 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 125.736 1.614 . . . . 0.0 109.026 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 140.21 58.26 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.197 151.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.385 -174.652 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 CA--C 1.535 0.383 0 CA-C-O 121.421 0.629 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -128.08 161.44 29.2 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.625 1.57 . . . . 0.0 109.66 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -51.73 145.34 9.55 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.529 1.131 . . . . 0.0 113.454 -155.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -94.31 135.98 35.11 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.415 1.886 . . . . 0.0 108.279 166.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.76 92.54 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 126.068 1.747 . . . . 0.0 108.114 172.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 61.8 m -91.11 117.17 29.39 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 124.927 1.291 . . . . 0.0 108.351 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 57.8 ttm -134.67 149.09 50.48 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 121.644 -0.66 . . . . 0.0 111.883 -171.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -128.28 110.95 12.87 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.631 1.572 . . . . 0.0 110.129 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.92 170.8 7.73 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 125.568 1.547 . . . . 0.0 110.599 173.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -128.0 119.65 25.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.828 0.851 . . . . 0.0 110.279 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.02 146.77 54.3 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 168.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.66 -8.83 45.87 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -175.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.9 -0.37 27.22 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.939 0.895 . . . . 0.0 112.944 165.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.07 8.27 59.08 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 125.874 1.702 . . . . 0.0 113.959 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -93.91 106.72 18.68 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.105 0.962 . . . . 0.0 110.074 -170.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -76.1 128.4 34.91 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.12 0.568 . . . . 0.0 110.94 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -130.92 122.53 27.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.969 0.89 . . . . 0.0 111.296 -177.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -76.67 147.76 37.26 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.987 170.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -140.92 150.63 43.4 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.62 1.168 . . . . 0.0 109.959 165.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -126.83 89.51 3.0 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.891 1.677 . . . . 0.0 108.638 -172.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -101.72 84.36 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -171.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.91 152.57 20.76 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 123.9 0.88 . . . . 0.0 112.541 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.03 23.59 34.65 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 124.056 0.836 . . . . 0.0 113.746 -174.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 mt -101.68 -174.56 2.62 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.423 1.489 . . . . 0.0 112.046 -173.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.0 p -133.63 176.16 8.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.365 -0.834 . . . . 0.0 110.042 166.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.08 -32.52 72.17 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 74.7 m -70.23 -27.31 64.36 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 174.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -81.14 -32.45 33.71 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.632 1.173 . . . . 0.0 111.226 175.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -58.57 -45.75 88.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.583 166.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.87 -25.21 64.87 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 63.4 t -71.0 -45.96 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 123.505 0.722 . . . . 0.0 111.648 171.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.19 -37.95 88.95 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.449 0.568 . . . . 0.0 111.544 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -67.59 -15.88 63.89 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.86 -35.7 92.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 121.144 -0.973 . . . . 0.0 112.678 165.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -80.13 -15.46 57.05 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 7.7 m -57.05 -20.34 24.18 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.383 1.473 . . . . 0.0 114.781 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.07 -9.24 0.82 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 172.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.48 40.73 1.23 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 72.14 70.36 0.15 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.908 2.083 . . . . 0.0 112.711 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 tt -67.49 151.88 10.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.951 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.3 mm -122.11 -53.69 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 126.008 1.723 . . . . 0.0 109.743 -172.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -139.61 159.46 42.11 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 123.455 0.702 . . . . 0.0 111.976 172.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tp -152.56 140.89 20.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.616 1.567 . . . . 0.0 108.961 169.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 41.9 ttp85 -135.51 127.36 29.36 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.851 2.061 . . . . 0.0 108.619 168.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 tt -128.36 146.37 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 122.959 0.503 . . . . 0.0 110.036 173.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' B' ' 55' ' ' VAL . 5.4 t0 -147.32 131.49 17.37 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.495 1.118 . . . . 0.0 108.369 -173.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.413 ' HB2' ' HE2' ' B' ' 54' ' ' LYS . 1.5 ptmm? -70.13 16.5 0.07 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 170.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.428 ' H ' ' C ' ' B' ' 53' ' ' ASP . 19.0 m 34.51 90.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 131.016 3.726 . . . . 0.0 114.266 -173.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.8 tp . . . . . 0 C--O 1.257 1.47 0 CA-C-N 111.287 -2.688 . . . . 0.0 110.276 -172.805 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.7 t0 . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 121.629 0.728 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.595 ' H ' ' HA2' ' A' ' 30' ' ' GLY . 70.6 m -117.79 -167.68 1.38 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 129.1 2.96 . . . . 0.0 109.774 -174.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -44.16 115.07 0.77 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.438 1.495 . . . . 0.0 112.104 -169.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -70.94 146.65 49.37 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 161.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -137.89 96.46 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 128.294 2.637 . . . . 0.0 107.89 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -96.47 105.84 17.99 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 127.298 2.239 . . . . 0.0 107.905 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.02 154.81 32.5 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 120.595 1.543 . . . . 0.0 111.44 -178.017 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tt -147.85 111.29 4.95 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.02 0.928 . . . . 0.0 109.615 -175.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.67 170.84 7.96 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.505 1.122 . . . . 0.0 109.943 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -125.13 122.66 37.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.074 1.35 . . . . 0.0 110.681 172.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.4 162.38 29.52 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.793 1.237 . . . . 0.0 111.963 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -62.95 -21.7 66.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.658 1.583 . . . . 0.0 114.097 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -79.16 0.0 30.05 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 118.933 0.788 . . . . 0.0 112.701 169.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.45 4.13 74.07 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.454 1.502 . . . . 0.0 113.442 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -80.28 112.19 17.38 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.774 1.23 . . . . 0.0 110.869 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -74.07 132.07 41.96 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 170.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -137.51 156.85 47.66 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 122.157 0.979 . . . . 0.0 111.642 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -121.82 133.57 54.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.288 1.435 . . . . 0.0 110.251 -161.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -134.79 75.52 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.617 1.967 . . . . 0.0 108.381 -168.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -95.53 109.82 21.98 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.028 0.918 . . . . 0.0 111.062 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -115.28 143.99 44.41 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.095 2.158 . . . . 0.0 108.336 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -130.66 152.77 49.66 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.76 0.424 . . . . 0.0 111.484 -170.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.595 ' HA2' ' H ' ' A' ' 9' ' ' SER . . . 71.38 32.44 65.04 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 118.678 -1.068 . . . . 0.0 114.162 171.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.4 mt -111.7 -151.94 0.49 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.928 1.364 . . . . 0.0 110.24 -169.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.1 p -147.17 175.04 11.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.841 -1.162 . . . . 0.0 112.345 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.76 -34.09 73.93 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 m -65.02 -33.97 77.32 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.759 0.708 . . . . 0.0 111.747 172.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -75.43 -36.19 60.81 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.283 -0.886 . . . . 0.0 111.357 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -59.21 -50.61 73.37 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.382 1.073 . . . . 0.0 111.515 167.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -54.82 -41.28 70.47 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.268 1.427 . . . . 0.0 111.798 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.74 -55.41 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 118.797 -0.62 . . . . 0.0 111.25 170.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.7 tp -61.75 -44.03 97.69 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.782 1.174 . . . . 0.0 113.115 -173.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.82 -32.11 72.39 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.425 1.09 . . . . 0.0 112.079 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.51 -33.44 11.53 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-N 118.824 0.738 . . . . 0.0 114.457 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -89.26 -29.71 19.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.708 1.203 . . . . 0.0 112.255 -170.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -62.17 -43.82 97.97 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 118.923 -0.56 . . . . 0.0 111.814 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.39 -14.56 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.21 2.604 . . . . 0.0 117.627 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.17 158.81 27.76 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 122.36 1.076 . . . . 0.0 111.253 169.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.35 108.45 1.95 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.207 -173.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.99 125.73 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 124.867 1.267 . . . . 0.0 110.843 176.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.3 mm -107.28 -42.91 6.44 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.082 0 C-N-CA 127.445 2.298 . . . . 0.0 108.108 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -143.89 150.63 38.7 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.305 1.042 . . . . 0.0 110.212 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HG ' ' HB3' ' B' ' 52' ' ' LEU . 3.8 pp -146.61 162.4 38.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.793 0.806 . . . . 0.0 110.018 149.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 ttp85 -142.53 124.44 15.2 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 127.625 2.37 . . . . 0.0 108.521 173.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 tt -118.31 144.94 45.46 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.787 1.635 . . . . 0.0 107.921 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -150.35 112.78 4.68 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -172.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -67.03 87.5 0.15 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 122.04 0.924 . . . . 0.0 110.781 170.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 C--O 1.235 0.325 0 C-N-CA 124.442 1.097 . . . . 0.0 110.558 175.84 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -168.66 -176.56 2.8 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.832 1.653 . . . . 0.0 108.734 -170.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -35.52 130.22 0.53 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.619 2.367 . . . . 0.0 112.902 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -105.12 103.26 12.77 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 127.232 2.213 . . . . 0.0 109.871 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.568 HG22 HD13 ' B' ' 52' ' ' LEU . 12.4 t -86.26 133.37 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 168.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 37.0 m -129.59 93.33 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 165.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 37.1 ttp -106.25 160.28 15.47 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.536 0.734 . . . . 0.0 111.071 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.3 120.04 8.08 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.611 0.764 . . . . 0.0 110.812 -168.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.42 174.83 5.92 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.406 1.883 . . . . 0.0 110.471 -174.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -132.15 124.68 29.56 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 124.269 1.028 . . . . 0.0 110.113 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.96 165.21 23.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.888 1.275 . . . . 0.0 112.393 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -54.47 -34.78 62.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.776 1.631 . . . . 0.0 112.87 171.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.26 0.22 14.88 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.301 -0.875 . . . . 0.0 113.2 173.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.28 6.05 89.42 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.312 1.434 . . . . 0.0 113.666 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -78.28 122.5 25.8 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.686 -0.89 . . . . 0.0 110.283 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -79.49 130.29 35.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.637 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -132.53 140.86 48.49 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.93 0.871 . . . . 0.0 111.712 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -88.05 152.12 22.26 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.038 1.335 . . . . 0.0 111.727 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -134.36 79.2 1.79 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.395 2.278 . . . . 0.0 108.133 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -73.96 116.72 14.91 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.589 1.556 . . . . 0.0 109.899 169.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -143.77 101.11 3.7 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.113 0.965 . . . . 0.0 110.626 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.67 168.18 9.99 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.504 0.722 . . . . 0.0 112.888 177.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.95 39.37 38.44 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.408 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 pp -135.32 -165.58 1.7 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.986 1.314 . . . . 0.0 109.442 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.0 p -137.81 -176.76 4.53 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.239 -0.913 . . . . 0.0 113.372 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.8 mt -57.74 -41.94 82.91 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -168.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -63.7 -31.7 72.95 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -79.12 -34.75 43.09 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.877 1.271 . . . . 0.0 111.811 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.32 -46.04 91.29 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.596 -0.69 . . . . 0.0 110.74 166.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.24 -30.53 69.48 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.772 0.829 . . . . 0.0 113.089 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 70.7 t -63.54 -52.2 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 118.677 0.672 . . . . 0.0 110.396 170.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 24.4 tp -57.76 -51.19 70.57 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.407 1.083 . . . . 0.0 111.628 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -60.2 -39.26 85.94 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.095 2.158 . . . . 0.0 112.451 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.29 -22.99 64.0 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-O 118.945 -0.92 . . . . 0.0 114.612 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -99.28 -37.86 9.1 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.981 1.39 . . . . 0.0 113.984 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m -78.06 -45.68 22.9 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.295 0.498 . . . . 0.0 111.672 -161.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.56 -1.82 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 128.93 2.892 . . . . 0.0 118.563 161.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -70.46 81.55 0.57 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.339 1.456 . . . . 0.0 113.045 -175.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 60.25 -16.22 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.771 2.828 . . . . 0.0 117.127 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . 0.292 3.2 tp 38.68 99.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 131.372 3.869 . . . . 0.0 113.081 172.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.7 mm -108.26 -47.03 7.6 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 C-N-CA 129.154 2.982 . . . . 0.0 109.073 -160.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -142.4 161.13 38.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.6 0.714 . . . . 0.0 110.975 169.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 tp -154.18 123.38 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.81 1.244 . . . . 0.0 107.939 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -115.22 143.53 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 165.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.568 HD13 HG22 ' B' ' 12' ' ' VAL . 53.7 tp -134.79 143.87 47.33 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 167.236 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -148.6 111.54 4.85 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.824 1.25 . . . . 0.0 108.025 -171.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -69.44 96.8 0.92 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.411 -0.806 . . . . 0.0 110.885 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.19 151.67 9.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.393 165.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.841 2.057 . . . . 0.0 108.675 -171.62 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 121.054 0.454 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m -140.95 -177.4 5.07 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 127.033 2.133 . . . . 0.0 109.13 -172.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -41.53 130.08 3.13 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.221 1.408 . . . . 0.0 113.816 -167.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -109.8 96.21 6.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 127.765 2.426 . . . . 0.0 109.007 -168.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.9 t -95.51 143.0 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.568 1.547 . . . . 0.0 110.307 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.6 m -144.28 118.47 9.51 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 124.143 0.977 . . . . 0.0 108.469 172.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.8 mtt -125.1 161.88 25.82 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.375 0.988 . . . . 0.0 113.035 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tt -141.87 115.61 9.14 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.507 1.523 . . . . 0.0 109.077 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.89 166.75 16.31 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.518 1.127 . . . . 0.0 109.78 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -125.55 118.04 24.89 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.257 1.023 . . . . 0.0 110.182 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.57 159.44 21.77 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.594 1.158 . . . . 0.0 111.924 175.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.93 -18.82 63.58 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.82 -3.14 36.87 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.654 0.782 . . . . 0.0 112.99 168.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.72 6.71 69.75 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 125.766 1.65 . . . . 0.0 113.581 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -85.8 112.43 21.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.481 1.112 . . . . 0.0 110.579 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -74.83 132.92 41.91 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.261 0.625 . . . . 0.0 110.943 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -136.26 154.13 50.99 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.107 0.963 . . . . 0.0 111.63 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -121.93 136.01 54.9 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.438 1.495 . . . . 0.0 110.897 -165.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -136.49 85.35 2.14 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.17 1.388 . . . . 0.0 110.404 -164.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -87.1 125.23 34.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.337 0.655 . . . . 0.0 110.324 172.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -144.61 98.66 3.23 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.36 1.064 . . . . 0.0 111.059 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.89 173.39 6.34 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.648 0.779 . . . . 0.0 112.672 177.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.17 31.07 66.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.59 -0.561 . . . . 0.0 113.342 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 pp -130.42 -163.06 1.27 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.551 1.14 . . . . 0.0 111.013 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.9 p -142.91 -177.39 5.31 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.144 -0.973 . . . . 0.0 112.83 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.64 -32.34 73.79 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -165.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 p -63.77 -31.94 73.27 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.675 1.19 . . . . 0.0 112.707 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.99 -31.23 34.81 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.221 1.008 . . . . 0.0 112.113 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -60.43 -45.68 92.77 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.443 -0.786 . . . . 0.0 110.9 165.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.38 -42.36 70.26 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.229 1.812 . . . . 0.0 112.488 174.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.67 -50.4 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.258 173.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -55.58 31.93 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.657 1.117 . . . . 0.0 110.908 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -59.71 -41.04 89.92 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.154 0.982 . . . . 0.0 112.23 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.9 -30.39 26.3 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-O 119.191 -0.783 . . . . 0.0 114.912 -174.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -82.12 -37.5 26.18 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.986 1.393 . . . . 0.0 111.394 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 p -65.7 -51.4 59.63 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.019 0.527 . . . . 0.0 111.49 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.98 17.57 0.68 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.288 2.235 . . . . 0.0 114.387 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -82.21 170.88 14.92 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.592 1.557 . . . . 0.0 111.975 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.51 100.71 0.52 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.008 0.923 . . . . 0.0 110.188 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 129.07 36.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.059 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -109.83 -45.84 6.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 127.644 2.377 . . . . 0.0 108.19 -176.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -140.46 148.34 41.0 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.537 1.535 . . . . 0.0 110.157 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -143.54 158.46 43.64 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.632 1.206 . . . . 0.0 111.738 149.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -139.82 147.19 40.38 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 127.362 2.265 . . . . 0.0 109.052 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.5 tt -144.67 135.49 24.81 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.832 1.653 . . . . 0.0 108.658 164.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -129.3 141.25 51.15 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.532 1.133 . . . . 0.0 108.726 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -64.06 153.29 37.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.916 0.865 . . . . 0.0 110.762 163.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.0 t . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 114.166 -1.379 . . . . 0.0 107.53 169.381 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 49.6 m 75.3 145.66 0.08 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 127.82 2.448 . . . . 0.0 112.221 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -52.17 149.82 5.02 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.934 2.094 . . . . 0.0 114.382 -154.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -117.07 93.81 4.33 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 126.778 2.031 . . . . 0.0 109.609 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.491 HG22 HD13 ' B' ' 52' ' ' LEU . 38.7 t -82.03 130.67 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 166.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 31.3 m -132.54 87.7 2.45 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.878 1.671 . . . . 0.0 107.028 172.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 6.0 mtp -94.43 168.44 10.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.913 0.885 . . . . 0.0 110.651 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.4 149.42 31.72 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.136 0.97 . . . . 0.0 111.218 157.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -134.72 172.29 13.16 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.275 1.83 . . . . 0.0 109.507 -172.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -119.93 141.43 49.64 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.328 0.651 . . . . 0.0 110.492 -175.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.69 171.68 8.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.398 1.079 . . . . 0.0 110.087 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.0 -35.33 76.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.652 1.181 . . . . 0.0 112.811 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -83.35 -2.34 55.52 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.451 1.1 . . . . 0.0 112.958 173.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.31 83.21 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-O 118.122 -1.377 . . . . 0.0 114.762 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -61.22 -24.45 66.36 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.999 1.9 . . . . 0.0 115.565 -166.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 59.09 136.56 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 128.381 2.672 . . . . 0.0 114.152 -167.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -139.93 141.63 36.46 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.644 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -81.01 151.87 28.21 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 122.2 1.0 . . . . 0.0 111.79 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -131.84 74.44 1.59 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 127.363 2.265 . . . . 0.0 107.512 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -78.86 117.86 20.36 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.201 1.8 . . . . 0.0 109.928 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -141.85 93.5 2.56 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 126.225 1.81 . . . . 0.0 109.632 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -120.49 147.21 45.43 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.649 1.18 . . . . 0.0 110.896 -172.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.65 36.62 6.06 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.146 0.879 . . . . 0.0 112.502 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.422 HD11 HG23 ' B' ' 12' ' ' VAL . 0.9 OUTLIER -137.05 -161.85 1.22 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.803 1.241 . . . . 0.0 110.724 -175.637 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.0 p -138.23 -178.28 5.21 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.17 -37.68 88.12 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.2 p -66.54 -25.68 66.78 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.913 -0.492 . . . . 0.0 112.145 173.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -81.17 -34.41 32.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.662 1.185 . . . . 0.0 111.595 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -58.59 -45.32 89.35 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.483 -0.76 . . . . 0.0 111.037 166.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.29 -26.94 65.4 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.33 -51.99 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.85 0.75 . . . . 0.0 110.648 170.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.475 HD23 HG11 ' B' ' 12' ' ' VAL . 62.6 tp -59.55 -46.59 88.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.284 0.634 . . . . 0.0 111.105 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -59.28 -55.49 34.14 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.322 1.049 . . . . 0.0 111.709 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.53 -19.68 76.52 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 118.953 -0.915 . . . . 0.0 114.879 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -96.26 -39.84 9.46 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.662 1.231 . . . . 0.0 112.597 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.1 m -124.21 -23.62 4.5 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -155.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.82 23.32 0.08 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -169.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.24 118.2 4.18 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.385 1.074 . . . . 0.0 110.163 174.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 49.68 58.56 5.3 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.071 1.748 . . . . 0.0 114.309 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 tt -63.48 151.33 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 1.2 mp -110.06 -55.81 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 127.753 2.421 . . . . 0.0 107.473 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -139.21 146.08 40.07 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.566 0.698 . . . . 0.0 112.573 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 tp -139.35 128.06 23.28 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 127.55 2.34 . . . . 0.0 108.408 170.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.21 136.62 52.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.67 1.988 . . . . 0.0 107.093 168.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.491 HD13 HG22 ' B' ' 12' ' ' VAL . 41.1 tp -142.66 127.17 17.87 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 171.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.43 146.08 49.12 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 123.738 0.815 . . . . 0.0 109.242 173.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -62.08 152.26 33.24 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.635 155.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -132.33 134.03 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 121.724 0.773 . . . . 0.0 109.231 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--O 1.248 0.98 0 C-N-CA 128.568 2.747 . . . . 0.0 109.561 -166.647 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 t -144.15 171.58 14.1 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.783 1.633 . . . . 0.0 108.818 169.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -45.52 139.37 3.84 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.698 1.599 . . . . 0.0 113.561 -156.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -98.68 134.93 40.9 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.07 1.348 . . . . 0.0 109.19 166.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 t -127.49 92.69 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 126.0 1.72 . . . . 0.0 109.373 175.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.5 m -78.73 100.05 6.91 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.5 ttm -124.42 141.11 52.33 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.314 0.646 . . . . 0.0 110.628 -174.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.8 tp -137.64 128.53 27.21 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 127.174 2.19 . . . . 0.0 109.432 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -130.75 175.28 9.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.189 1.396 . . . . 0.0 110.318 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -136.71 119.88 16.66 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.381 0.673 . . . . 0.0 111.159 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -66.02 162.23 19.86 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.014 0.925 . . . . 0.0 112.05 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.19 -21.56 66.61 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -76.5 -8.56 57.42 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 170.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.74 6.49 60.7 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 125.463 1.506 . . . . 0.0 114.004 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -80.89 116.53 20.91 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.888 0.875 . . . . 0.0 110.653 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -78.9 136.79 37.39 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.119 172.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -142.03 144.29 33.56 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.354 0.597 . . . . 0.0 111.079 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -146.2 165.69 28.44 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.305 -174.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.77 161.73 37.02 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.739 158.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -80.43 87.17 5.67 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 125.105 1.362 . . . . 0.0 108.683 161.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.18 91.78 6.77 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -125.42 167.43 14.97 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -164.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.81 34.93 66.01 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.665 -174.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -135.83 -162.97 1.33 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.399 1.08 . . . . 0.0 110.474 -173.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.9 p -138.83 -179.4 5.81 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 120.941 -1.099 . . . . 0.0 113.493 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.7 -34.7 76.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -70.19 -26.91 64.11 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.187 -0.945 . . . . 0.0 113.131 173.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -80.59 -31.38 36.74 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 123.521 0.728 . . . . 0.0 112.347 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -59.23 -47.05 86.77 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.226 0.611 . . . . 0.0 110.972 166.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.89 -30.74 70.35 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.4 t -68.92 -50.45 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.34 168.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.6 tp -54.27 -50.9 66.2 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.36 0.982 . . . . 0.0 112.137 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -61.34 -37.63 83.98 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.33 1.052 . . . . 0.0 112.657 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.6 -26.19 43.61 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -85.92 -41.23 15.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.148 0.979 . . . . 0.0 111.169 -177.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.6 p -69.99 -48.0 59.96 Favored 'General case' 0 C--O 1.221 -0.403 0 O-C-N 123.504 0.502 . . . . 0.0 112.309 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.94 0.7 0.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 118.25 2.685 . . . . 0.0 118.25 172.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -80.88 45.6 0.83 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.513 1.525 . . . . 0.0 112.748 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 65.33 -5.77 0.42 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.35 2.66 . . . . 0.0 117.373 157.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm 62.91 142.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 127.559 2.344 . . . . 0.0 113.373 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.6 mm -119.59 -49.53 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 113.845 -1.525 . . . . 0.0 108.354 168.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -136.02 152.54 51.02 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-O 121.694 0.759 . . . . 0.0 111.628 170.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.8 tp -148.53 131.24 15.97 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.44 1.896 . . . . 0.0 108.126 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttt-85 -135.58 143.03 45.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.651 1.18 . . . . 0.0 107.904 166.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -141.32 147.31 37.93 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.715 0.806 . . . . 0.0 109.476 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -153.09 129.32 10.48 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.322 -172.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.437 ' HE3' HD13 ' B' ' 48' ' ' ILE 0.255 6.5 ptpt -70.96 18.27 0.06 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 173.859 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.326 -0.438 0 C-N-CA 130.817 3.647 . . . . 0.0 115.69 177.931 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--O 1.235 0.306 0 CA-C-O 123.446 1.594 . . . . 0.0 113.144 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.7 m 141.07 -172.68 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 128.23 2.612 . . . . 0.0 107.826 -144.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -89.52 172.81 8.71 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 122.718 1.247 . . . . 0.0 109.635 149.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.44 146.22 49.6 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 129.265 3.026 . . . . 0.0 106.845 172.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -133.35 142.23 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 127.109 2.163 . . . . 0.0 109.733 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -138.93 140.36 38.3 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.254 1.422 . . . . 0.0 108.249 167.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.7 tpp -145.8 148.92 33.45 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.647 0.779 . . . . 0.0 109.241 -169.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -141.96 121.95 13.69 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.177 0.991 . . . . 0.0 109.442 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.453 ' CD1' HD13 ' B' ' 47' ' ' ILE . 1.6 mm? -118.75 171.51 8.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.431 1.892 . . . . 0.0 110.622 -173.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -136.82 118.98 15.49 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 124.005 0.922 . . . . 0.0 110.59 172.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.51 160.4 22.35 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.709 0.804 . . . . 0.0 111.601 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.24 -25.83 65.96 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -76.74 -0.36 23.44 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.527 0.731 . . . . 0.0 112.866 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.45 6.37 70.88 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.81 1.672 . . . . 0.0 114.349 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -87.79 115.19 25.07 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.849 1.26 . . . . 0.0 110.47 -175.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -75.83 140.37 42.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.662 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -143.16 148.71 36.98 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 122.36 1.076 . . . . 0.0 111.797 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -112.33 142.84 44.35 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.727 2.011 . . . . 0.0 110.466 -171.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -153.85 109.55 3.23 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.228 -167.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -121.69 150.16 42.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.634 0.73 . . . . 0.0 110.995 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -152.31 104.48 2.94 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.698 1.199 . . . . 0.0 109.599 -170.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -90.22 168.37 11.99 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.008 0.923 . . . . 0.0 109.617 171.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.32 38.48 91.49 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 119.588 -0.562 . . . . 0.0 114.314 169.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.05 -162.65 1.28 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.176 0.99 . . . . 0.0 111.596 -177.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 28.7 p -133.34 176.55 8.43 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.21 -0.931 . . . . 0.0 113.102 -176.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.35 -37.23 82.6 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 49.2 m -65.01 -30.5 71.49 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -77.61 -31.4 52.86 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.04 0.936 . . . . 0.0 112.062 175.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -61.2 -45.28 95.24 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.742 -0.599 . . . . 0.0 111.893 167.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -60.93 -31.21 70.75 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.15 -51.22 62.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.009 169.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.22 -53.29 59.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.356 0.98 . . . . 0.0 111.013 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -57.63 -49.07 77.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.708 1.203 . . . . 0.0 112.131 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.51 -28.52 35.66 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-O 119.19 -0.783 . . . . 0.0 115.012 -171.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -89.71 -39.78 12.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.767 1.283 . . . . 0.0 111.626 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 38.2 m -81.3 -50.66 9.25 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 119.424 -0.322 . . . . 0.0 110.677 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.89 -1.12 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 119.888 3.292 . . . . 0.0 119.888 164.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -64.94 92.17 0.1 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.708 1.203 . . . . 0.0 113.395 -171.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 66.99 -35.08 0.24 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 129.474 3.11 . . . . 0.0 115.814 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' B' ' 16' ' ' LEU . 18.4 mm 56.8 107.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 127.399 2.279 . . . . 0.0 112.11 -170.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.437 HD13 ' HE3' ' A' ' 54' ' ' LYS . 45.5 mm -108.14 -51.76 7.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.817 -177.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -140.75 156.38 46.2 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.394 1.077 . . . . 0.0 109.487 170.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 pp -152.7 164.94 36.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.886 0.85 . . . . 0.0 111.278 154.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -142.07 145.83 34.77 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.259 2.224 . . . . 0.0 109.519 173.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 tt -142.56 144.82 33.07 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.982 1.313 . . . . 0.0 109.501 164.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.86 134.84 35.58 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.48 1.512 . . . . 0.0 107.616 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -68.04 139.82 56.29 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.572 0.701 . . . . 0.0 109.265 154.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -124.73 145.71 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 125.551 1.54 . . . . 0.0 109.347 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.247 0.926 0 C-N-CA 128.316 2.647 . . . . 0.0 113.075 -169.179 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t70 . . . . . 0 CA--C 1.532 0.264 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t -155.92 -177.36 6.52 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.642 1.577 . . . . 0.0 110.604 -169.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -42.93 131.55 4.14 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.479 1.511 . . . . 0.0 113.178 -167.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 26.4 t70 -77.47 148.23 35.49 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.008 156.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -135.06 92.71 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 125.921 1.688 . . . . 0.0 108.443 159.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 m -68.36 124.22 22.92 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 165.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.53 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 1.8 tpp -139.24 148.5 43.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.775 0.798 . . . . 0.0 111.495 -177.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.53 ' N ' ' HG3' ' A' ' 14' ' ' MET . 0.1 OUTLIER -149.07 128.33 12.9 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.123 -176.362 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.35 168.31 10.75 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 113.574 -1.648 . . . . 0.0 109.308 175.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -86.45 156.6 20.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.543 153.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.15 177.76 8.36 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 122.022 0.915 . . . . 0.0 112.333 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.0 -19.39 64.3 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 -161.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.8 -5.06 27.33 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 171.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.06 13.89 65.5 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 124.587 1.089 . . . . 0.0 113.075 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -128.72 156.59 43.27 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 125.169 1.388 . . . . 0.0 110.241 -171.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -81.12 150.54 28.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.391 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -141.41 141.16 33.76 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.969 0.89 . . . . 0.0 111.115 176.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -132.15 133.18 43.96 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.003 -1.453 . . . . 0.0 110.308 -159.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.0 159.44 44.21 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 122.525 1.155 . . . . 0.0 112.41 165.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -83.87 139.91 32.33 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 112.857 -1.974 . . . . 0.0 111.716 161.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -126.7 81.09 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.011 0.924 . . . . 0.0 108.509 172.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -103.39 167.77 9.6 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -170.534 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.15 37.09 91.19 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.806 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.97 -167.37 1.94 Allowed 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.463 1.105 . . . . 0.0 109.613 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 p -139.08 179.6 6.41 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 120.886 -1.134 . . . . 0.0 112.939 -173.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.66 -26.63 68.47 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.8 p -77.94 -24.8 48.12 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 171.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -79.16 -32.51 44.31 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.964 1.306 . . . . 0.0 111.305 171.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.403 ' HE1' HD11 ' A' ' 50' ' ' LEU . 23.0 t80 -59.19 -43.27 92.21 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.861 0.864 . . . . 0.0 111.759 167.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -60.91 -28.79 69.17 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.3 t -69.37 -49.09 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 119.135 -0.459 . . . . 0.0 110.573 170.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.3 tp -59.37 -48.0 83.31 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.696 0.68 . . . . 0.0 111.466 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -67.63 -23.01 65.3 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.03 -25.3 27.23 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-O 119.513 -0.604 . . . . 0.0 114.468 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -118.71 -21.93 7.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.928 0.864 . . . . 0.0 113.109 -167.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.2 m -129.2 -6.64 4.85 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -164.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.1 18.89 0.06 Allowed 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.42 113.27 5.84 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.291 1.036 . . . . 0.0 113.118 -176.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 59.02 53.73 5.4 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 126.651 1.98 . . . . 0.0 112.673 -172.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.5 tt -64.46 151.63 9.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.0 mm -135.34 -57.3 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.745 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.456 ' HB2' HD23 ' A' ' 15' ' ' LEU . 37.3 mttm -138.56 157.54 45.96 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-O 122.061 0.934 . . . . 0.0 111.853 176.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.403 HD11 ' HE1' ' A' ' 36' ' ' PHE . 6.1 tt -154.93 123.72 6.15 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.239 1.816 . . . . 0.0 107.872 -176.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -130.52 90.84 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.263 1.425 . . . . 0.0 108.662 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.2 tt -81.33 138.23 35.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.388 165.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -149.9 129.41 13.05 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -55.76 153.34 8.38 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-O 122.963 1.363 . . . . 0.0 111.967 170.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.447 -0.613 0 CA-C-N 113.511 -1.677 . . . . 0.0 111.662 -179.193 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -98.94 -176.25 3.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.886 2.074 . . . . 0.0 109.535 162.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -43.68 134.64 4.17 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.971 1.308 . . . . 0.0 112.166 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -95.44 130.6 42.2 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 124.743 1.217 . . . . 0.0 109.962 169.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -115.6 124.91 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 124.804 1.241 . . . . 0.0 108.194 167.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 86.8 m -122.98 95.26 4.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 125.546 1.538 . . . . 0.0 107.067 172.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.3 ttp -113.46 147.37 37.98 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.119 0.967 . . . . 0.0 109.156 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -131.79 134.26 45.63 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.152 1.381 . . . . 0.0 109.525 -175.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -124.38 169.07 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.209 1.403 . . . . 0.0 109.952 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -108.05 136.52 47.59 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 122.815 1.293 . . . . 0.0 111.411 173.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.92 160.93 27.03 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.567 1.547 . . . . 0.0 110.944 175.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -65.07 -21.07 66.76 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.8 -13.62 59.84 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 169.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.77 5.19 58.76 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.956 1.265 . . . . 0.0 114.126 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -76.52 165.86 24.21 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 117.769 0.785 . . . . 0.0 110.011 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -89.02 151.9 22.0 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.906 -0.496 . . . . 0.0 110.394 169.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -138.21 157.77 45.62 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.098 0.951 . . . . 0.0 111.228 160.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -103.73 150.32 24.16 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.538 -171.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -131.44 73.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 128.112 2.565 . . . . 0.0 107.497 166.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -86.53 120.71 28.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.406 1.482 . . . . 0.0 110.162 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -142.96 84.55 1.84 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 126.915 2.086 . . . . 0.0 110.633 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -68.78 143.7 54.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.94 164.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.91 51.31 4.82 Favored Glycine 0 CA--C 1.519 0.299 0 O-C-N 123.394 0.434 . . . . 0.0 113.925 163.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.88 -162.8 1.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.206 0.603 . . . . 0.0 109.746 172.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -137.73 177.6 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.057 -1.027 . . . . 0.0 112.32 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.25 -32.52 73.23 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -174.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -71.76 -31.93 67.15 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 173.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -75.56 -32.57 60.44 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.272 0.629 . . . . 0.0 111.619 174.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.81 -40.32 97.0 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.612 -0.68 . . . . 0.0 111.673 170.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.63 -36.34 76.15 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 173.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.88 -48.16 80.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 119.033 -0.508 . . . . 0.0 110.797 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 50.4 tp -58.82 -54.05 51.48 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.239 1.016 . . . . 0.0 112.48 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.43 -41.7 97.59 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.35 -31.23 76.52 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.39 -0.672 . . . . 0.0 114.629 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -86.54 -24.79 25.35 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 118.04 0.92 . . . . 0.0 112.728 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 55.2 m -66.74 -63.89 0.97 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.107 0.563 . . . . 0.0 111.221 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 46.77 33.26 2.05 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -114.03 -179.41 3.63 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.785 1.234 . . . . 0.0 111.146 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.4 90.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 125.712 1.605 . . . . 0.0 112.029 -176.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -64.31 131.1 29.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 124.479 1.112 . . . . 0.0 110.816 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mm -116.3 -53.62 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 113.225 -1.807 . . . . 0.0 108.088 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -142.56 151.85 41.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.756 0.822 . . . . 0.0 109.687 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tp -148.07 110.96 4.8 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.369 1.068 . . . . 0.0 108.796 171.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.38 107.17 15.87 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.19 1.396 . . . . 0.0 109.061 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.8 tt -105.47 139.43 40.1 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 123.292 0.637 . . . . 0.0 109.487 169.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -151.91 104.27 2.99 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -167.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -57.99 139.97 53.33 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 122.462 1.125 . . . . 0.0 111.972 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.5 t -129.49 145.74 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.356 -1.747 . . . . 0.0 107.104 160.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 C--O 1.249 1.038 0 CA-C-N 114.5 -1.227 . . . . 0.0 112.083 -161.485 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 120.644 0.259 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 86.76 -142.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.749 2.02 . . . . 0.0 109.589 -164.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -105.51 170.77 7.7 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 123.604 1.669 . . . . 0.0 112.808 168.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -129.53 129.04 43.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 130.453 3.501 . . . . 0.0 107.966 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.86 121.59 61.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 125.219 1.408 . . . . 0.0 109.144 -175.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.1 m -123.9 102.46 7.8 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -175.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.5 ttm -126.97 149.46 49.85 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.534 0.683 . . . . 0.0 112.039 -164.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 tt -136.94 106.9 6.27 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.017 1.727 . . . . 0.0 109.817 -174.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -108.63 164.41 12.39 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.649 0.738 . . . . 0.0 110.467 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -104.69 121.76 44.25 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.15 1.38 . . . . 0.0 110.95 170.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -79.48 173.12 12.91 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.737 2.415 . . . . 0.0 112.638 176.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -64.93 -24.34 67.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.72 -6.21 59.35 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.365 0.666 . . . . 0.0 112.663 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.04 19.45 79.78 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.014 0.816 . . . . 0.0 114.29 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -85.1 -26.82 26.69 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.491 1.116 . . . . 0.0 112.823 -173.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 70.8 145.73 0.06 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 128.906 2.882 . . . . 0.0 112.557 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -141.04 135.54 31.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.928 0.871 . . . . 0.0 111.64 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -114.48 132.14 56.38 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 127.586 2.354 . . . . 0.0 109.373 -173.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -150.44 142.56 24.07 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.763 0.792 . . . . 0.0 112.952 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -92.45 138.87 31.15 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.146 1.378 . . . . 0.0 110.8 173.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -145.37 98.52 3.16 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.276 1.43 . . . . 0.0 109.651 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.23 170.31 10.39 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.37 32.4 57.98 Favored Glycine 0 CA--C 1.525 0.659 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.66 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 pp -139.35 171.2 14.62 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 126.005 1.722 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 p -113.46 -179.79 3.74 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -162.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.3 mt -56.61 -39.86 74.33 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.401 0.681 . . . . 0.0 112.432 175.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.1 m -66.07 -30.47 70.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.997 0.919 . . . . 0.0 112.997 175.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -82.33 -34.88 28.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.587 1.155 . . . . 0.0 111.371 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.14 -46.79 82.4 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.384 1.074 . . . . 0.0 111.048 165.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.46 -29.87 68.11 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.781 0.832 . . . . 0.0 113.201 175.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.3 t -68.06 -55.41 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 118.575 0.625 . . . . 0.0 109.889 169.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.07 -42.89 95.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.242 0.928 . . . . 0.0 112.85 -177.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -69.63 -38.43 77.2 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.301 1.04 . . . . 0.0 112.829 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.79 -20.46 24.09 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 115.64 1.016 . . . . 0.0 115.64 -169.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -104.77 -24.9 12.85 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.682 1.241 . . . . 0.0 113.391 -172.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 83.3 m -68.29 -33.17 73.86 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.254 1.021 . . . . 0.0 112.444 -170.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.54 -0.26 0.06 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.198 2.599 . . . . 0.0 117.455 176.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -72.3 146.99 46.81 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.169 0.895 . . . . 0.0 110.481 162.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -66.81 116.11 7.33 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.875 0.47 . . . . 0.0 111.247 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.38 128.14 32.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 123.989 0.916 . . . . 0.0 111.244 176.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.3 mm -112.69 -49.77 5.75 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 127.604 2.362 . . . . 0.0 108.568 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -138.32 154.85 48.98 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.842 0.83 . . . . 0.0 111.299 169.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 tt -157.9 132.18 8.21 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.428 1.491 . . . . 0.0 108.302 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.407 HH21 ' CG ' ' A' ' 53' ' ' ASP . 25.1 mmm-85 -125.18 142.5 51.46 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 126.541 1.937 . . . . 0.0 108.645 164.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 tp -133.63 127.52 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.76 2.024 . . . . 0.0 105.695 169.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.407 ' CG ' HH21 ' A' ' 51' ' ' ARG . 1.8 m-20 -132.49 127.04 34.37 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.128 1.371 . . . . 0.0 107.8 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -63.32 121.7 14.38 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 121.144 -0.972 . . . . 0.0 108.51 161.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.332 -0.163 0 CA-C-O 122.266 1.031 . . . . 0.0 109.819 177.664 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.6 t 73.34 170.07 0.31 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.463 1.905 . . . . 0.0 111.425 -161.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -49.1 143.05 6.16 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.708 1.603 . . . . 0.0 114.099 -161.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -112.63 115.65 28.93 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 128.238 2.615 . . . . 0.0 109.311 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.466 HG23 HD11 ' B' ' 31' ' ' LEU . 73.0 t -102.02 124.16 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 C-N-CA 124.401 1.081 . . . . 0.0 108.709 171.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 47.8 m -121.31 95.8 4.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 32.4 ttp -103.22 158.88 16.01 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.331 0.653 . . . . 0.0 111.205 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.87 119.99 8.85 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.036 1.334 . . . . 0.0 110.416 -171.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -117.32 172.58 7.21 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.546 1.538 . . . . 0.0 110.659 -173.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -122.33 136.17 54.85 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.959 0.904 . . . . 0.0 111.609 172.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -82.17 164.84 21.0 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.101 1.76 . . . . 0.0 111.911 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -60.73 -31.18 70.5 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.838 1.255 . . . . 0.0 112.923 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -73.54 -9.78 59.04 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.382 -0.824 . . . . 0.0 112.788 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.74 0.7 66.37 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.393 1.473 . . . . 0.0 114.204 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -80.51 148.55 30.38 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.468 1.134 . . . . 0.0 111.134 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -106.61 138.97 41.81 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 123.59 0.756 . . . . 0.0 110.35 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -140.55 150.26 43.45 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.87 0.843 . . . . 0.0 112.32 -173.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -94.06 156.02 16.8 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.554 1.142 . . . . 0.0 113.087 -173.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -136.53 82.41 1.94 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.352 2.661 . . . . 0.0 108.091 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -79.44 120.29 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.342 1.457 . . . . 0.0 110.264 172.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -140.15 95.76 2.94 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.361 1.464 . . . . 0.0 110.484 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -100.97 165.32 11.39 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.163 0.985 . . . . 0.0 111.902 -173.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.07 61.72 6.3 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.873 1.225 . . . . 0.0 112.849 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.466 HD11 HG23 ' B' ' 12' ' ' VAL . 1.5 pp -140.34 -160.37 1.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.446 1.099 . . . . 0.0 110.584 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.5 p -141.7 179.87 6.58 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.693 -1.254 . . . . 0.0 113.277 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.0 -36.58 84.46 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 94.7 p -68.53 -23.31 64.51 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 172.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -82.55 -36.78 25.98 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.381 1.072 . . . . 0.0 110.926 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -57.93 -41.79 83.48 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.722 -0.611 . . . . 0.0 111.384 167.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.07 -29.92 68.87 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 174.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.53 -52.28 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 118.863 0.756 . . . . 0.0 109.606 170.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 tp -59.87 -51.9 67.73 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.107 0.412 . . . . 0.0 111.242 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.81 -26.36 68.59 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.732 0.813 . . . . 0.0 113.029 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.76 -21.21 48.0 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.188 -0.785 . . . . 0.0 114.935 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -119.23 -27.75 5.58 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.836 1.318 . . . . 0.0 113.695 -173.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.3 m -124.01 -3.94 8.05 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.229 1.412 . . . . 0.0 112.086 -160.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.8 37.19 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.384 1.873 . . . . 0.0 114.044 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -73.49 86.83 1.57 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.472 1.909 . . . . 0.0 111.809 -169.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 61.43 68.78 0.69 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.365 1.866 . . . . 0.0 110.752 -167.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.32 125.47 27.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 126.059 1.744 . . . . 0.0 112.009 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.5 mm -107.68 -41.69 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 128.143 2.577 . . . . 0.0 109.769 -175.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -154.75 165.41 36.69 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 111.577 159.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -146.91 157.59 43.68 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 122.04 0.924 . . . . 0.0 111.425 160.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -117.11 144.32 44.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.827 2.051 . . . . 0.0 108.832 167.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.9 tp -134.25 123.59 24.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.212 1.805 . . . . 0.0 107.523 165.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -139.33 118.06 12.33 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.099 0.959 . . . . 0.0 109.046 -170.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -69.04 96.52 0.8 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.411 0.624 . . . . 0.0 110.699 175.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.69 143.39 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 160.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 25.8 tp . . . . . 0 C--O 1.25 1.123 0 C-N-CA 128.094 2.558 . . . . 0.0 113.482 -169.004 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 123.143 1.449 . . . . 0.0 112.039 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 m 144.6 -175.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.98 2.912 . . . . 0.0 109.437 -150.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -94.75 158.23 15.6 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.604 1.192 . . . . 0.0 109.863 158.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 51' ' ' ARG . 1.7 t0 -107.51 137.71 45.05 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 130.871 3.668 . . . . 0.0 105.714 163.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -130.93 89.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 C-N-CA 127.209 2.204 . . . . 0.0 107.154 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.2 m -96.38 101.62 13.28 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.525 1.13 . . . . 0.0 108.296 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ttp -118.71 161.02 20.79 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.85 0.86 . . . . 0.0 109.868 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pp -152.15 158.82 43.46 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 122.652 1.215 . . . . 0.0 112.136 163.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -135.96 171.09 14.97 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 127.195 2.198 . . . . 0.0 110.039 -169.53 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -119.86 132.11 55.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.757 0.823 . . . . 0.0 110.682 173.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.24 161.38 29.38 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.292 1.037 . . . . 0.0 111.863 174.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.87 -23.71 66.46 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 173.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.21 -2.18 23.72 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.035 0.934 . . . . 0.0 112.92 170.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.97 6.08 76.2 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.397 1.475 . . . . 0.0 114.799 173.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -98.72 150.24 22.01 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.985 0.914 . . . . 0.0 111.475 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -88.58 148.55 24.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.691 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -143.41 143.31 31.57 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 124.049 0.939 . . . . 0.0 110.662 173.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -83.62 153.42 24.29 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 122.454 1.121 . . . . 0.0 112.68 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -129.52 69.73 1.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 128.29 2.636 . . . . 0.0 106.427 164.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -86.39 118.58 25.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.578 1.551 . . . . 0.0 109.564 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -134.11 146.49 50.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 125.271 1.428 . . . . 0.0 108.865 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.63 168.25 23.31 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.27 0.628 . . . . 0.0 110.109 164.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.12 62.27 Favored Glycine 0 CA--C 1.533 1.208 0 O-C-N 123.656 0.597 . . . . 0.0 112.89 -173.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -127.34 -176.95 3.89 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.868 1.667 . . . . 0.0 110.779 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 p -131.67 177.6 7.39 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.431 0.692 . . . . 0.0 112.819 -171.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.53 -33.92 75.88 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.515 -0.74 . . . . 0.0 112.381 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.0 m -71.36 -19.02 62.34 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.909 0.884 . . . . 0.0 113.041 174.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -89.32 -34.77 16.44 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.524 1.13 . . . . 0.0 110.876 174.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.65 -42.1 92.04 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.428 0.691 . . . . 0.0 112.018 166.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -53.43 -38.56 63.62 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.962 1.305 . . . . 0.0 111.794 173.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.2 t -71.35 -49.06 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.183 0.993 . . . . 0.0 111.19 174.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.6 tp -58.11 -50.64 72.77 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.88 0.763 . . . . 0.0 111.75 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -63.44 -37.09 85.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.933 0.493 . . . . 0.0 111.65 175.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.81 -16.16 80.36 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.481 0.952 . . . . 0.0 115.481 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -114.15 -31.3 6.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.936 1.368 . . . . 0.0 113.245 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.3 m -124.48 -9.59 7.43 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -159.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.411 ' HA ' HD21 ' A' ' 16' ' ' LEU . . . -72.96 49.0 0.23 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.722 1.609 . . . . 0.0 114.359 -178.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.67 -68.92 0.17 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.153 2.181 . . . . 0.0 112.859 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -131.96 82.08 2.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.157 1.383 . . . . 0.0 109.388 171.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.09 145.02 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 113.59 -1.641 . . . . 0.0 110.319 -170.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 mm -125.58 -60.97 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 C-N-CA 124.975 1.31 . . . . 0.0 108.481 -169.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -135.93 152.28 50.83 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.685 1.194 . . . . 0.0 111.137 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 tt -151.72 128.73 11.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.666 1.586 . . . . 0.0 108.278 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.551 HH12 ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -138.55 88.76 2.32 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 125.685 1.594 . . . . 0.0 109.017 178.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -83.91 136.26 34.16 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.759 0.824 . . . . 0.0 109.307 166.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -151.83 118.55 5.75 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.152 1.381 . . . . 0.0 110.497 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -59.59 115.48 3.34 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.502 -0.749 . . . . 0.0 110.231 165.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 C--O 1.235 0.324 0 CA-C-O 122.699 1.238 . . . . 0.0 110.1 -177.684 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -145.64 179.33 7.5 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 127.887 2.475 . . . . 0.0 107.69 -173.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -36.35 122.54 0.75 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.066 1.746 . . . . 0.0 113.567 -169.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.02 125.38 29.31 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.517 1.127 . . . . 0.0 108.049 165.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.36 130.95 67.76 Favored 'Isoleucine or valine' 0 C--O 1.231 0.079 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 159.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 97.1 m -133.09 93.43 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.3 ttp -112.87 159.91 18.57 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.501 1.12 . . . . 0.0 111.002 -171.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -150.76 120.89 7.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.091 0.956 . . . . 0.0 110.823 -170.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -119.89 174.19 6.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.561 1.944 . . . . 0.0 110.691 -172.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -127.26 124.8 39.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 111.385 -176.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -87.29 176.92 7.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.461 1.504 . . . . 0.0 112.27 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -64.2 -23.37 67.29 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -90.21 -7.33 53.82 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.065 0.848 . . . . 0.0 111.573 173.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.42 19.38 79.47 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.19 0.9 . . . . 0.0 113.425 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -73.7 -30.81 63.08 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.349 1.075 . . . . 0.0 112.555 -173.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 77.39 138.91 0.07 Allowed 'General case' 0 C--O 1.233 0.198 0 C-N-CA 129.932 3.293 . . . . 0.0 111.986 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -134.18 147.34 50.74 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 122.361 1.077 . . . . 0.0 111.975 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -116.01 132.16 56.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.953 1.701 . . . . 0.0 110.401 -161.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -128.09 75.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 126.645 1.978 . . . . 0.0 109.008 -169.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -78.15 121.28 24.11 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.195 1.398 . . . . 0.0 110.331 167.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -145.73 93.28 2.33 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.663 1.985 . . . . 0.0 109.836 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -106.22 160.7 15.14 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.237 1.015 . . . . 0.0 111.018 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.81 36.58 18.71 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.993 -0.337 . . . . 0.0 112.656 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 pp -133.44 -165.57 1.64 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.335 1.454 . . . . 0.0 110.609 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.4 p -140.46 -177.67 5.15 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.092 -1.005 . . . . 0.0 113.063 173.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.4 mt -57.72 -36.25 71.77 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -166.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 20.0 p -69.41 -30.17 68.07 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.38 -0.825 . . . . 0.0 113.035 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -78.06 -31.8 50.47 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.608 1.163 . . . . 0.0 112.389 172.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -58.84 -47.02 86.32 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.513 -0.742 . . . . 0.0 110.955 165.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.04 -28.48 69.09 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.45 -51.74 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 119.08 0.855 . . . . 0.0 110.861 169.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.95 -49.77 76.36 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.407 0.683 . . . . 0.0 111.973 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -60.45 -45.47 93.58 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.131 1.373 . . . . 0.0 111.639 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.14 -26.57 72.5 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 118.463 -1.187 . . . . 0.0 114.835 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -96.06 -12.79 24.33 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.96 1.38 . . . . 0.0 113.89 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 81.1 p -119.47 -105.54 0.39 Allowed 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.28 0.491 . . . . 0.0 110.754 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 48.49 14.59 0.07 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.051 2.14 . . . . 0.0 114.903 -167.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.04 99.89 0.39 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.817 2.447 . . . . 0.0 112.419 -170.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 47.89 44.78 18.59 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.159 1.383 . . . . 0.0 111.332 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.6 tt -53.06 149.29 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 125.727 1.611 . . . . 0.0 114.457 -166.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.1 mm -124.02 -56.59 2.38 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 C-N-CA 127.08 2.152 . . . . 0.0 108.716 -170.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -135.55 156.31 49.09 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.588 0.631 . . . . 0.0 111.474 173.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.4 tp -150.03 105.87 3.43 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.049 1.74 . . . . 0.0 107.501 169.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -98.18 140.86 31.84 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.803 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 tt -139.47 143.49 37.56 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.83 0.852 . . . . 0.0 109.563 166.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -149.62 117.21 6.17 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.694 1.198 . . . . 0.0 109.451 -175.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -63.56 153.44 35.76 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 122.704 1.24 . . . . 0.0 112.123 175.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -120.59 157.63 23.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.725 -1.58 . . . . 0.0 107.408 172.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 tp . . . . . 0 C--O 1.251 1.14 0 C-N-CA 129.074 2.95 . . . . 0.0 114.313 -175.788 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--O 1.236 0.361 0 CA-C-O 123.714 1.721 . . . . 0.0 115.211 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.0 m 137.6 -170.51 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.24 2.616 . . . . 0.0 108.244 -143.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -92.0 147.47 22.93 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.242 1.02 . . . . 0.0 110.229 162.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -101.04 120.23 39.9 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 128.522 2.729 . . . . 0.0 107.731 166.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.7 t -124.94 101.8 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 124.343 1.057 . . . . 0.0 110.022 -174.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.0 m -102.19 94.35 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.01 1.324 . . . . 0.0 108.631 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.0 ttm -96.7 160.67 14.25 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.459 0.704 . . . . 0.0 110.423 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.64 119.32 8.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.094 0.958 . . . . 0.0 109.878 -176.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 44' ' ' ALA . 1.3 mm? -116.23 177.1 4.81 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.221 1.409 . . . . 0.0 110.513 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -131.35 136.22 47.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.047 0.939 . . . . 0.0 111.011 176.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -77.1 162.69 27.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 124.781 1.233 . . . . 0.0 111.503 173.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.43 -27.27 68.99 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.62 -7.44 54.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.474 1.109 . . . . 0.0 112.796 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.39 2.05 66.01 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.929 1.252 . . . . 0.0 114.072 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -70.9 118.95 14.33 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 118.451 1.126 . . . . 0.0 110.36 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -83.76 134.39 34.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.404 0.282 . . . . 0.0 110.682 173.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -139.9 144.74 37.32 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 122.275 1.036 . . . . 0.0 111.901 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -83.82 154.36 23.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.32 -1.309 . . . . 0.0 112.653 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -134.3 83.99 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 127.582 2.353 . . . . 0.0 107.956 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -74.2 130.01 38.93 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.629 1.171 . . . . 0.0 110.943 172.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -138.98 72.8 1.41 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 122.496 1.141 . . . . 0.0 110.728 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -81.83 57.42 3.43 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.872 2.069 . . . . 0.0 112.213 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.54 50.08 0.02 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 115.677 1.031 . . . . 0.0 115.677 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp -128.28 -176.73 3.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.527 0.731 . . . . 0.0 111.357 172.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.9 p -114.78 175.44 5.49 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.278 -0.889 . . . . 0.0 112.949 -173.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.8 mt -62.1 -33.05 73.73 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.7 m -67.61 -34.62 77.37 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 171.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -78.23 -30.77 48.96 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.719 0.807 . . . . 0.0 111.651 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -61.97 -42.71 99.44 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.584 0.754 . . . . 0.0 111.265 168.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.54 -30.61 71.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.148 0.885 . . . . 0.0 112.885 174.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -67.86 -49.98 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 121.712 -0.617 . . . . 0.0 110.731 168.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.6 -49.59 74.45 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.68 0.792 . . . . 0.0 111.594 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -69.58 -17.14 63.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.724 1.209 . . . . 0.0 113.511 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.78 -37.92 4.57 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.274 0.94 . . . . 0.0 113.935 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -102.57 -30.44 10.96 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.587 1.155 . . . . 0.0 113.197 -171.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.8 m -117.4 -10.59 10.68 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.663 0.785 . . . . 0.0 112.549 -163.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.477 ' HA ' HD11 ' A' ' 16' ' ' LEU . . . -70.42 37.42 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.593 1.957 . . . . 0.0 114.834 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.73 94.06 0.99 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.86 1.664 . . . . 0.0 111.92 -172.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 55.09 72.67 0.46 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 126.173 1.789 . . . . 0.0 111.906 -167.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.74 152.5 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 114.429 -1.26 . . . . 0.0 113.701 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mm -129.39 -58.33 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 126.894 2.077 . . . . 0.0 108.086 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -130.78 160.96 32.83 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.093 0.949 . . . . 0.0 112.738 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 tp -151.19 126.24 9.83 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.003 1.721 . . . . 0.0 109.456 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -117.73 135.26 54.15 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.683 1.593 . . . . 0.0 107.936 163.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 tt -138.53 135.19 34.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.66 0.784 . . . . 0.0 108.988 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -149.82 116.32 5.81 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 123.556 0.742 . . . . 0.0 109.394 -165.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -62.01 107.34 0.85 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.875 0.761 . . . . 0.0 110.287 167.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.3 t . . . . . 0 CA--C 1.518 -0.264 0 C-N-CA 124.95 1.3 . . . . 0.0 107.814 167.013 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 p30 . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 121.679 0.752 . . . . 0.0 112.67 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -130.97 175.47 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 127.137 2.175 . . . . 0.0 110.824 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -43.1 133.34 3.88 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 125.635 1.574 . . . . 0.0 113.37 -164.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.32 104.99 16.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.697 1.599 . . . . 0.0 109.538 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.477 HG22 HD12 ' B' ' 52' ' ' LEU . 41.0 t -102.08 133.94 44.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 C-N-CA 123.774 0.83 . . . . 0.0 109.356 172.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 35.2 m -136.34 102.38 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.516 1.126 . . . . 0.0 108.08 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 56.7 ttp -120.94 159.96 24.48 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.072 0.949 . . . . 0.0 109.521 -174.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -149.33 156.2 41.7 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 122.968 1.366 . . . . 0.0 111.805 170.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -129.75 162.28 28.77 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 127.425 2.29 . . . . 0.0 109.276 -167.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -109.72 139.97 44.14 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.471 0.708 . . . . 0.0 109.93 168.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -157.34 -179.61 8.35 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.651 1.181 . . . . 0.0 110.592 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 32.0 t70 40.19 76.14 0.07 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.336 1.855 . . . . 0.0 113.751 162.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 t0 74.32 3.69 4.38 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.424 2.289 . . . . 0.0 114.087 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.53 10.32 31.43 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.85 0.738 . . . . 0.0 113.551 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -73.14 142.42 47.46 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.26 1.03 . . . . 0.0 110.111 172.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -90.09 142.3 27.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.086 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -129.63 153.52 48.02 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.679 0.752 . . . . 0.0 110.912 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -118.94 142.46 47.75 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.746 1.218 . . . . 0.0 111.475 -158.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -137.8 77.46 1.63 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.698 1.999 . . . . 0.0 109.306 -168.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -82.98 122.15 27.93 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.808 1.643 . . . . 0.0 110.316 170.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -148.09 88.06 1.64 Allowed 'General case' 0 C--O 1.231 0.105 0 C-N-CA 125.914 1.686 . . . . 0.0 110.353 -173.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.2 169.52 10.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.004 172.326 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.2 34.93 57.57 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.41 0.529 . . . . 0.0 113.403 172.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -131.22 -164.08 1.4 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.553 1.141 . . . . 0.0 110.146 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 19.1 p -140.3 -179.73 6.17 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.036 -1.04 . . . . 0.0 112.86 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.48 -36.14 75.45 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -173.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 66.5 m -69.7 -21.97 63.45 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 174.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -86.34 -34.38 20.29 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.659 1.183 . . . . 0.0 111.065 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -62.14 -41.84 98.67 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.538 -0.726 . . . . 0.0 112.062 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -53.24 -40.74 64.78 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.752 1.221 . . . . 0.0 111.814 172.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.57 -50.36 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 123.303 0.641 . . . . 0.0 111.636 172.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.66 -50.18 72.86 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.566 0.746 . . . . 0.0 111.818 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -59.88 -62.91 1.52 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.038 0.935 . . . . 0.0 110.566 172.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.5 -24.09 61.29 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.42 0.928 . . . . 0.0 115.42 -171.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -89.19 -16.78 30.51 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.831 1.315 . . . . 0.0 113.21 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -128.83 -21.54 3.36 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -160.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.56 25.57 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 -165.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.2 -37.79 75.48 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.221 1.409 . . . . 0.0 114.337 -172.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -144.47 49.8 1.31 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 122.945 1.355 . . . . 0.0 109.798 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.69 138.29 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.208 -171.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.7 mm -118.42 -51.86 4.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 125.015 1.326 . . . . 0.0 110.611 -170.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -136.94 147.96 46.68 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 123.966 0.907 . . . . 0.0 111.912 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.1 tt -152.26 134.72 15.26 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.997 1.319 . . . . 0.0 109.963 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.08 133.09 46.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 127.149 2.18 . . . . 0.0 109.073 174.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.477 HD12 HG22 ' B' ' 12' ' ' VAL . 4.6 tt -143.95 142.86 30.97 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.217 1.407 . . . . 0.0 110.092 168.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 41.7 p30 -142.32 160.4 40.33 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.517 0.675 . . . . 0.0 112.492 149.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.25 122.9 19.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.958 -1.019 . . . . 0.0 108.477 153.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -75.59 144.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.794 -170.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.25 1.105 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -167.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.087 0.47 . . . . 0.0 111.665 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.2 t -163.66 -178.95 6.08 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.423 1.889 . . . . 0.0 109.747 -174.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -43.05 132.5 4.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.516 1.526 . . . . 0.0 112.849 -168.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -100.73 115.87 31.29 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.227 2.611 . . . . 0.0 108.932 171.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.24 98.12 6.55 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.086 0 C-N-CA 125.082 1.353 . . . . 0.0 109.279 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.2 m -91.42 99.42 12.38 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 170.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.8 ttp -103.04 162.42 12.95 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.181 0.592 . . . . 0.0 110.753 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.11 118.83 6.57 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.633 0.773 . . . . 0.0 111.088 -169.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -117.79 174.66 6.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.644 1.578 . . . . 0.0 110.587 -176.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -122.32 129.73 52.45 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.246 1.018 . . . . 0.0 110.826 172.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.35 161.02 30.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.424 1.489 . . . . 0.0 111.755 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -62.09 -21.47 65.0 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -76.38 -14.54 60.07 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 121.252 -0.905 . . . . 0.0 113.013 170.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.58 5.62 53.79 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 127.103 2.287 . . . . 0.0 114.062 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -81.38 125.82 30.87 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.532 1.533 . . . . 0.0 110.123 -177.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -80.24 137.51 36.65 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.278 -0.264 . . . . 0.0 110.641 172.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.77 144.67 35.61 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 121.72 0.771 . . . . 0.0 112.154 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -83.79 151.94 24.91 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.495 1.118 . . . . 0.0 112.324 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -133.55 86.21 2.27 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.291 2.636 . . . . 0.0 107.869 171.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -77.25 118.46 19.77 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.101 1.36 . . . . 0.0 110.399 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -136.49 98.04 3.72 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.937 1.295 . . . . 0.0 110.401 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 166.01 15.39 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.776 1.23 . . . . 0.0 113.042 -171.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.45 42.26 95.93 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.583 0.611 . . . . 0.0 111.848 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 pp -138.85 -164.49 1.66 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.149 0.979 . . . . 0.0 110.59 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 p -138.38 179.13 6.64 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.504 -1.373 . . . . 0.0 113.462 -174.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.32 -37.99 82.33 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.34 -0.85 . . . . 0.0 112.954 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.6 m -67.63 -25.72 65.88 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.553 -0.717 . . . . 0.0 112.923 174.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -84.07 -33.81 24.34 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.703 1.201 . . . . 0.0 110.92 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -59.28 -42.53 91.46 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.224 -0.923 . . . . 0.0 111.403 166.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -59.79 -27.69 66.79 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.97 -50.6 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.257 0.623 . . . . 0.0 110.49 169.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.5 tp -55.31 -49.98 70.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.328 0.651 . . . . 0.0 111.361 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -62.11 -34.85 77.1 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.433 1.093 . . . . 0.0 112.6 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.89 -23.84 58.97 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 119.237 -0.757 . . . . 0.0 114.834 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -111.95 -27.23 8.52 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.588 1.194 . . . . 0.0 113.709 -171.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 m -129.4 -6.85 4.74 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.641 0.776 . . . . 0.0 112.69 -160.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.59 25.18 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -71.07 107.01 3.92 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.777 2.031 . . . . 0.0 111.724 -174.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 57.93 58.62 3.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.837 1.655 . . . . 0.0 112.129 -171.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 tp -58.65 128.31 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 127.777 2.431 . . . . 0.0 113.155 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.5 mm -119.65 -60.51 2.55 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 C-N-CA 128.372 2.669 . . . . 0.0 107.449 -177.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -133.11 159.06 41.21 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.247 1.022 . . . . 0.0 112.325 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 tt -152.28 126.6 9.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.331 1.453 . . . . 0.0 108.118 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.13 89.46 2.92 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 125.828 1.651 . . . . 0.0 108.867 174.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.9 tt -89.17 136.1 33.2 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 169.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -148.91 113.37 5.3 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.329 1.452 . . . . 0.0 110.377 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -54.79 121.62 8.96 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.285 1.034 . . . . 0.0 110.538 168.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 167.067 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.5 m -135.84 -176.36 4.27 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.527 1.931 . . . . 0.0 111.46 -165.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -47.74 123.12 5.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.343 1.457 . . . . 0.0 111.662 -174.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -81.0 134.22 35.64 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 163.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.13 134.63 62.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 C-N-CA 123.894 0.877 . . . . 0.0 108.768 167.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 51.2 m -133.38 95.77 3.58 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.522 1.929 . . . . 0.0 106.856 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 49.8 ttp -110.6 157.74 19.34 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.875 0.87 . . . . 0.0 109.853 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 pp -148.76 146.99 28.3 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 122.593 1.187 . . . . 0.0 112.134 171.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -119.03 175.88 5.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.633 1.973 . . . . 0.0 109.087 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -119.86 146.89 45.33 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.817 0.847 . . . . 0.0 112.754 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -143.97 175.23 10.18 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.764 1.625 . . . . 0.0 110.722 175.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 27.9 t70 30.9 72.19 0.07 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 128.471 2.708 . . . . 0.0 115.26 159.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 t70 77.83 -3.52 2.37 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.965 2.506 . . . . 0.0 114.162 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.75 6.22 3.74 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.729 1.157 . . . . 0.0 114.267 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -69.42 106.99 3.15 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.305 1.053 . . . . 0.0 109.813 174.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.59 142.36 35.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.53 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -134.34 145.63 49.19 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.969 0.907 . . . . 0.0 110.973 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -104.31 154.22 20.07 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 122.52 1.152 . . . . 0.0 113.385 -162.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -135.94 76.44 1.61 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 128.986 2.915 . . . . 0.0 108.055 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.84 124.65 27.25 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.253 1.421 . . . . 0.0 109.619 168.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -142.7 86.55 1.95 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.765 1.626 . . . . 0.0 109.378 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -83.3 153.53 24.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.168 1.387 . . . . 0.0 111.736 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.53 53.58 44.86 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.562 1.077 . . . . 0.0 113.853 169.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pp -133.09 -170.69 2.51 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.087 0.955 . . . . 0.0 110.751 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 13.1 p -127.75 176.21 7.72 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 120.887 -1.133 . . . . 0.0 113.113 -175.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.25 -33.66 76.33 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 120.745 -1.222 . . . . 0.0 112.665 -172.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.3 m -66.59 -27.6 67.85 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -81.8 -35.04 29.95 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.808 1.243 . . . . 0.0 110.988 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.04 -42.43 98.45 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.448 -0.783 . . . . 0.0 111.69 169.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.62 -37.79 68.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.61 0.764 . . . . 0.0 113.009 173.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.4 t -65.19 -50.1 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.011 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.67 -55.02 40.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.143 0.977 . . . . 0.0 111.673 178.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -62.1 -29.7 70.5 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.143 0.977 . . . . 0.0 112.778 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.72 -17.26 68.49 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-O 118.438 -1.201 . . . . 0.0 115.364 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -120.91 -23.35 5.92 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.455 1.627 . . . . 0.0 114.608 -173.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.7 m -127.83 -10.04 5.5 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -162.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.59 47.29 0.17 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.033 1.733 . . . . 0.0 113.111 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.85 -67.6 0.42 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.242 1.817 . . . . 0.0 113.445 -166.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -120.04 70.61 0.88 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.696 1.199 . . . . 0.0 107.97 171.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.55 125.84 39.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 124.827 1.251 . . . . 0.0 112.694 -163.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 47.9 mm -109.35 -66.01 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 127.206 2.202 . . . . 0.0 107.549 -176.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -129.7 146.88 51.44 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.205 0.911 . . . . 0.0 111.315 -173.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 tt -149.83 110.94 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.111 1.364 . . . . 0.0 108.67 -174.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.28 121.85 45.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.497 1.519 . . . . 0.0 108.997 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tt -120.69 139.32 53.21 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.382 1.073 . . . . 0.0 108.531 168.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -149.61 112.35 4.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.57 1.148 . . . . 0.0 109.7 -173.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -53.86 137.11 39.39 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.018 0.927 . . . . 0.0 113.2 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 18.9 t -116.87 157.86 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 149.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.8 tp . . . . . 0 C--O 1.25 1.119 0 C-N-CA 126.321 1.848 . . . . 0.0 110.503 -174.86 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 CA--C 1.539 0.538 0 CA-C-O 121.84 0.828 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -159.17 -174.1 4.55 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.986 2.114 . . . . 0.0 108.958 -176.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -39.79 129.24 2.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.162 1.785 . . . . 0.0 114.646 -163.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 12.6 t0 -92.2 113.08 25.26 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 126.088 1.755 . . . . 0.0 107.901 171.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.465 HG11 HD23 ' A' ' 39' ' ' LEU . 43.8 t -97.57 135.48 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 122.156 0.979 . . . . 0.0 109.016 160.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.7 m -134.47 94.91 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp -113.46 164.36 13.72 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.045 0.938 . . . . 0.0 110.51 -172.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.64 123.68 6.91 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.123 0.569 . . . . 0.0 110.61 -169.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -122.72 173.07 7.97 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.486 1.514 . . . . 0.0 111.391 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -125.44 133.58 52.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.259 1.023 . . . . 0.0 110.269 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -78.61 164.68 24.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.508 1.523 . . . . 0.0 112.055 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.03 -32.26 66.0 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.9 1.68 . . . . 0.0 112.602 172.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -72.99 -1.49 17.29 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.177 0.991 . . . . 0.0 112.522 173.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.16 2.18 90.49 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 125.41 1.481 . . . . 0.0 113.687 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.32 126.63 31.39 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 125.225 1.41 . . . . 0.0 110.71 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -87.06 137.22 32.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.585 0.354 . . . . 0.0 110.49 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -135.86 144.61 45.72 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.848 0.832 . . . . 0.0 111.202 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -85.32 153.76 22.35 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.921 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -134.71 75.5 1.58 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 128.097 2.559 . . . . 0.0 107.957 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -74.45 120.79 20.5 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.087 1.355 . . . . 0.0 110.035 169.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -144.11 98.32 3.2 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.899 0.879 . . . . 0.0 109.941 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -118.17 163.45 16.64 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.929 0.892 . . . . 0.0 111.538 -169.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.93 36.53 73.58 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 116.383 -0.371 . . . . 0.0 112.194 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -130.82 -157.11 0.8 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.09 0.956 . . . . 0.0 110.622 -175.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.5 p -142.67 179.27 7.08 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 120.884 -1.135 . . . . 0.0 113.086 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.46 -34.91 78.79 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.314 -0.866 . . . . 0.0 112.695 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.9 m -66.42 -28.4 68.59 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.758 0.423 . . . . 0.0 111.753 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -80.09 -33.96 38.38 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.406 1.082 . . . . 0.0 111.546 175.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -62.5 -42.36 99.45 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.34 -0.85 . . . . 0.0 111.768 168.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.5 -35.51 70.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.003 0.921 . . . . 0.0 112.288 173.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.52 -52.83 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.193 0.597 . . . . 0.0 110.147 171.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.465 HD23 HG11 ' A' ' 12' ' ' VAL . 65.8 tp -55.87 -51.61 66.95 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.627 0.649 . . . . 0.0 112.084 -178.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.52 -47.89 83.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.396 1.079 . . . . 0.0 111.251 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.92 -27.71 70.05 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.732 0.682 . . . . 0.0 114.641 -176.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -79.98 -39.53 29.9 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.753 1.277 . . . . 0.0 111.002 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.6 m -69.25 -47.32 65.01 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.974 0.509 . . . . 0.0 110.542 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.95 27.31 5.42 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.909 2.484 . . . . 0.0 115.754 168.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -125.71 165.08 19.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.015 0.926 . . . . 0.0 111.299 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -66.13 103.02 0.89 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.279 1.432 . . . . 0.0 111.202 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.73 145.17 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 125.427 1.491 . . . . 0.0 112.604 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.3 mm -98.63 -57.54 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 126.117 1.767 . . . . 0.0 108.522 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -136.75 151.1 48.83 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.346 1.058 . . . . 0.0 110.871 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 tp -150.44 116.6 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.993 1.717 . . . . 0.0 107.936 178.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -115.56 141.82 47.56 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 123.903 0.881 . . . . 0.0 108.99 165.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.46 HD12 HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -139.32 140.02 37.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 124.085 0.866 . . . . 0.0 109.644 161.413 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.94 151.86 36.55 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.324 0.583 . . . . 0.0 112.249 165.015 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -65.95 155.09 37.56 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.025 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 122.986 1.374 . . . . 0.0 114.037 179.443 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 121.493 0.663 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.49 168.57 0.08 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.89 1.276 . . . . 0.0 112.809 -157.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -56.02 152.59 10.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.68 1.229 . . . . 0.0 113.349 -168.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.69 123.39 43.69 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 126.356 1.862 . . . . 0.0 109.009 -178.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.437 HG11 HD23 ' B' ' 39' ' ' LEU . 84.9 t -122.74 143.51 35.36 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 125.527 1.531 . . . . 0.0 110.704 -177.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 81.8 m -138.0 101.02 4.32 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 125.266 1.426 . . . . 0.0 107.803 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 26.2 ttp -109.05 157.74 18.41 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.353 0.661 . . . . 0.0 110.6 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -148.21 116.13 6.41 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.74 0.816 . . . . 0.0 110.024 -173.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -117.26 170.81 8.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.363 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -121.15 127.44 51.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.174 1.39 . . . . 0.0 110.167 171.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -77.54 166.79 22.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.337 1.055 . . . . 0.0 111.506 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -65.75 -19.27 65.83 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -83.26 -0.78 51.11 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.884 0.874 . . . . 0.0 113.037 170.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.21 0.2 74.26 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.945 1.736 . . . . 0.0 114.083 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -83.81 130.21 34.93 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.68 1.74 . . . . 0.0 110.955 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -84.71 139.4 32.03 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.512 0.725 . . . . 0.0 111.064 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -141.51 145.65 35.44 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.804 0.811 . . . . 0.0 111.817 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -86.67 152.22 22.75 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 124.427 1.091 . . . . 0.0 112.323 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -134.15 77.06 1.68 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 128.455 2.702 . . . . 0.0 107.979 172.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -70.39 128.5 36.4 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.668 0.787 . . . . 0.0 109.716 166.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -142.38 89.39 2.15 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 124.504 1.121 . . . . 0.0 109.821 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -91.33 135.17 34.0 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.952 1.301 . . . . 0.0 110.525 176.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.55 51.91 3.33 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 124.426 1.012 . . . . 0.0 112.519 169.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.65 -163.65 1.45 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.426 1.09 . . . . 0.0 110.796 176.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 33.0 p -132.12 174.85 9.77 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 120.474 -1.391 . . . . 0.0 112.398 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 19.6 mt -59.93 -37.07 78.43 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.416 -0.803 . . . . 0.0 112.388 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 33.0 m -63.56 -25.26 68.16 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 173.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -87.51 -32.42 19.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.896 1.278 . . . . 0.0 111.481 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.81 -41.75 96.32 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.569 -0.707 . . . . 0.0 111.513 167.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -58.53 -33.72 70.18 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.777 0.831 . . . . 0.0 112.435 173.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -70.42 -51.94 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.503 170.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.437 HD23 HG11 ' B' ' 12' ' ' VAL . 50.6 tp -52.4 -56.73 13.04 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.34 1.056 . . . . 0.0 111.917 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -64.1 -39.75 94.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.5 1.12 . . . . 0.0 112.195 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.47 -25.54 60.87 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.423 -0.654 . . . . 0.0 114.703 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -100.74 -27.28 13.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.399 1.099 . . . . 0.0 113.668 -171.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 63.0 m -71.15 -33.47 70.08 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -169.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.65 -1.2 0.08 Allowed 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 117.407 2.373 . . . . 0.0 117.407 169.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -76.6 160.2 29.63 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.57 1.077 . . . . 0.0 111.575 170.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.35 116.23 4.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.74 1.216 . . . . 0.0 111.042 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.96 124.19 39.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 124.908 1.283 . . . . 0.0 112.83 -173.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 25.6 mm -112.19 -51.37 5.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 C-N-CA 127.992 2.517 . . . . 0.0 108.752 -170.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -140.69 154.79 46.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.254 1.021 . . . . 0.0 111.293 172.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -147.1 156.15 42.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 122.317 1.056 . . . . 0.0 112.255 153.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -136.19 139.35 42.76 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.05 2.14 . . . . 0.0 108.521 170.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.7 tt -137.97 135.65 36.2 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 126.209 1.804 . . . . 0.0 108.579 166.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -134.0 135.16 43.24 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 125.029 1.332 . . . . 0.0 109.144 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 149.61 50.15 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.137 157.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 29.3 m -99.42 127.08 52.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.453 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 C--O 1.247 0.973 0 C-N-CA 128.271 2.628 . . . . 0.0 113.91 -174.988 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 N--CA 1.468 0.475 0 CA-C-O 121.552 0.692 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.1 p -146.69 169.16 19.61 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.453 1.901 . . . . 0.0 110.136 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CZ ' HD21 ' A' ' 33' ' ' LEU . 37.1 m-85 -44.66 140.71 2.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.197 2.199 . . . . 0.0 114.143 -155.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -104.75 116.48 32.09 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 125.631 1.573 . . . . 0.0 109.516 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.23 88.39 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.377 1.471 . . . . 0.0 110.615 -172.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.4 m -82.17 127.71 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.023 0.929 . . . . 0.0 108.66 176.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.4 ttm -137.3 145.12 43.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 118.593 0.633 . . . . 0.0 111.126 -174.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.3 141.79 43.85 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 122.865 1.317 . . . . 0.0 111.644 170.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 47' ' ' ILE . 17.9 mt -135.84 171.15 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.541 1.937 . . . . 0.0 108.935 -167.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -121.33 129.68 53.22 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.85 0.833 . . . . 0.0 111.788 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -74.97 160.5 30.49 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.088 1.355 . . . . 0.0 111.479 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -63.17 -21.88 66.5 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 175.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -82.99 1.43 39.9 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.455 0.702 . . . . 0.0 112.57 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.97 0.96 73.7 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.803 1.668 . . . . 0.0 114.216 175.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -78.71 131.32 36.56 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 118.102 0.951 . . . . 0.0 110.192 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -92.5 116.01 28.61 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.699 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -113.38 142.66 45.62 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.874 0.845 . . . . 0.0 110.4 -175.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -126.82 134.16 50.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.988 1.715 . . . . 0.0 109.358 -160.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -150.82 148.59 28.67 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.968 0.89 . . . . 0.0 112.377 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.83 138.86 32.88 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.923 1.289 . . . . 0.0 110.699 176.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -138.21 84.75 2.05 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.566 0.747 . . . . 0.0 109.303 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 169.92 8.31 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.699 0.8 . . . . 0.0 112.912 -178.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.02 43.87 96.72 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 123.459 0.552 . . . . 0.0 111.77 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 pp -136.91 -175.41 4.02 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.905 1.282 . . . . 0.0 110.44 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 p -133.93 -178.25 4.93 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 121.114 -0.991 . . . . 0.0 112.254 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.447 HD21 ' CZ ' ' A' ' 10' ' ' TYR . 2.9 mm? -68.18 -28.84 67.63 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -164.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.2 p -68.29 -27.06 65.98 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -79.36 -33.13 43.22 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.315 1.046 . . . . 0.0 111.697 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -63.7 -41.07 98.17 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.779 -0.576 . . . . 0.0 111.531 169.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.19 -28.98 68.41 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.631 0.773 . . . . 0.0 113.013 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.8 t -69.13 -50.93 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 118.711 0.687 . . . . 0.0 110.317 170.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.2 tp -55.89 -52.37 64.3 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.091 0.86 . . . . 0.0 111.265 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -63.25 -33.66 75.97 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.703 1.201 . . . . 0.0 113.195 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.39 -19.6 48.69 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.463 1.029 . . . . 0.0 115.244 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -118.28 -26.21 6.37 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.543 1.172 . . . . 0.0 113.523 -170.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 m -123.0 -14.82 7.51 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.863 0.465 . . . . 0.0 112.149 -162.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.41 31.05 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.689 2.395 . . . . 0.0 115.949 -175.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.02 100.36 1.22 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.735 2.414 . . . . 0.0 111.171 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 53.55 76.59 0.21 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.616 1.966 . . . . 0.0 112.56 -159.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.52 ' HA ' HD23 ' A' ' 16' ' ' LEU . 9.6 tp -65.61 131.59 31.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 125.864 1.666 . . . . 0.0 112.478 166.023 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.0 mm -124.79 -55.91 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 126.93 2.092 . . . . 0.0 107.542 -176.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.482 ' HE2' ' OD1' ' B' ' 53' ' ' ASP . 20.6 ttmt -143.93 147.06 33.43 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 118.979 0.809 . . . . 0.0 111.504 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.29 148.33 36.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.168 163.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 102.98 5.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 126.109 1.764 . . . . 0.0 108.68 -177.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.6 tt -110.15 132.18 54.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.476 1.91 . . . . 0.0 109.102 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.86 144.0 48.66 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 123.863 0.865 . . . . 0.0 109.372 165.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 148.56 51.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.294 -0.962 . . . . 0.0 110.145 153.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.9 m . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 121.209 0.528 . . . . 0.0 111.131 -167.359 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t0 . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.94 174.66 10.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.879 0.872 . . . . 0.0 112.641 -172.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.587 ' CZ ' HD21 ' B' ' 33' ' ' LEU . 42.8 m-85 -46.14 145.5 1.59 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.026 2.13 . . . . 0.0 111.877 -163.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -81.93 149.79 28.04 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 121.822 -0.549 . . . . 0.0 110.56 154.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.1 t -135.55 87.83 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 125.765 1.626 . . . . 0.0 107.392 161.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 61.4 m -65.52 118.64 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 165.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 54.3 ttm -134.17 144.94 48.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 119.085 0.857 . . . . 0.0 110.556 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.36 130.25 30.38 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.115 173.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -119.72 165.45 14.51 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.272 1.429 . . . . 0.0 109.979 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -111.48 119.91 40.37 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.595 1.158 . . . . 0.0 110.303 169.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.451 ' HA ' ' OD1' ' B' ' 45' ' ' ASP . 7.9 p-10 -75.34 172.83 11.77 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.834 2.053 . . . . 0.0 112.658 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -60.76 -28.69 68.91 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.302 1.441 . . . . 0.0 113.805 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -90.82 -5.37 55.7 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.581 -0.699 . . . . 0.0 112.707 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.23 16.48 69.21 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.863 -0.965 . . . . 0.0 114.654 171.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -70.72 -33.21 70.62 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.773 1.286 . . . . 0.0 112.709 -172.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 67.77 133.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 128.188 2.595 . . . . 0.0 112.314 -170.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -138.62 152.91 48.53 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.424 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -137.0 137.98 40.01 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 126.547 1.939 . . . . 0.0 109.934 -164.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -154.58 145.53 22.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.406 0.622 . . . . 0.0 111.778 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -83.95 103.59 13.32 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.521 1.128 . . . . 0.0 109.913 166.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -94.66 82.3 3.93 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -113.23 167.89 10.18 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.241 1.016 . . . . 0.0 113.392 -168.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.43 35.95 69.01 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.895 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 pp -143.07 -173.51 3.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.809 1.243 . . . . 0.0 110.561 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -132.28 -175.58 3.79 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.26 -0.9 . . . . 0.0 113.147 -169.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.587 HD21 ' CZ ' ' B' ' 10' ' ' TYR . 3.8 mm? -74.28 -26.54 60.26 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 121.002 -1.061 . . . . 0.0 113.4 -166.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 37.7 p -74.12 -24.52 59.46 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.309 1.044 . . . . 0.0 112.541 167.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -81.0 -35.04 32.48 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.124 0.97 . . . . 0.0 111.07 174.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -58.33 -43.38 88.19 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.938 0.895 . . . . 0.0 111.667 164.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -56.92 -36.2 69.92 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.293 1.037 . . . . 0.0 112.423 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -68.22 -51.62 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 123.394 0.678 . . . . 0.0 110.731 171.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.52 -52.34 64.01 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.949 0.795 . . . . 0.0 112.382 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -67.73 -23.21 65.23 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.636 1.175 . . . . 0.0 113.192 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.37 -34.84 6.85 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.786 0.708 . . . . 0.0 114.379 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -96.86 -26.1 15.21 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -167.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 61.1 m -72.42 -33.9 67.44 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -167.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 59.5 -11.49 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.334 2.654 . . . . 0.0 117.665 172.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.451 ' OD1' ' HA ' ' B' ' 18' ' ' ASP . 23.0 m-20 -68.65 155.94 39.11 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.522 1.056 . . . . 0.0 111.143 166.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -72.66 127.23 31.92 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.945 0.498 . . . . 0.0 111.398 -168.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 tp -71.51 122.77 24.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 C-N-CA 124.692 1.197 . . . . 0.0 112.813 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 48.1 mm -114.75 -48.4 4.93 Favored 'Isoleucine or valine' 0 C--N 1.338 0.097 0 C-N-CA 127.204 2.202 . . . . 0.0 108.949 -176.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -146.6 145.37 30.06 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 123.564 0.746 . . . . 0.0 112.355 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 tp -150.16 122.39 8.36 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.682 1.593 . . . . 0.0 109.431 177.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -128.45 93.92 3.76 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 125.227 1.411 . . . . 0.0 109.591 173.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.7 tt -86.0 136.28 33.32 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.407 1.083 . . . . 0.0 109.691 171.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.482 ' OD1' ' HE2' ' A' ' 49' ' ' LYS . 30.1 t70 -152.28 111.73 3.92 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.795 0.838 . . . . 0.0 111.281 -172.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.504 ' HB2' ' CE2' ' B' ' 10' ' ' TYR . 28.2 tptp -60.05 104.15 0.28 Allowed 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 122.999 1.38 . . . . 0.0 110.281 163.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.5 m -57.84 165.57 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 112.069 -2.332 . . . . 0.0 111.424 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.248 1.016 0 C-N-CA 125.768 1.627 . . . . 0.0 112.855 179.542 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 t0 . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 p -148.0 171.47 15.76 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.503 2.321 . . . . 0.0 108.861 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -48.35 154.66 0.59 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.76 1.624 . . . . 0.0 115.002 -158.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.78 108.04 12.58 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.614 1.966 . . . . 0.0 110.011 -171.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.57 HG22 HD13 ' A' ' 52' ' ' LEU . 24.9 t -101.28 140.23 20.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 124.6 1.16 . . . . 0.0 109.702 174.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.7 m -136.91 99.56 4.06 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.512 1.125 . . . . 0.0 108.195 166.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.5 mtm -98.66 166.93 11.1 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.347 168.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -151.58 151.51 31.64 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 122.467 1.127 . . . . 0.0 111.185 166.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -128.68 178.58 6.23 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 127.569 2.347 . . . . 0.0 108.955 -175.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -127.37 142.33 51.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.662 0.785 . . . . 0.0 110.508 173.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -139.32 -178.58 5.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.514 1.526 . . . . 0.0 110.392 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.1 t0 28.93 76.42 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 128.019 2.528 . . . . 0.0 114.322 156.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 t70 72.76 0.5 3.67 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.78 2.032 . . . . 0.0 114.297 171.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.13 4.68 5.44 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 125.11 1.338 . . . . 0.0 113.586 -177.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -60.14 107.29 0.62 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.821 1.648 . . . . 0.0 110.104 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -70.35 138.16 51.18 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 168.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -139.71 151.19 45.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.69 0.757 . . . . 0.0 111.278 171.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -103.06 152.36 21.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.988 -172.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -133.46 77.55 1.73 Allowed 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.569 1.948 . . . . 0.0 107.765 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -98.98 129.14 45.26 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.539 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -148.57 99.67 3.03 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 126.062 1.745 . . . . 0.0 108.608 -167.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.9 171.32 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.443 0.697 . . . . 0.0 111.897 174.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.56 40.16 54.58 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 123.583 0.611 . . . . 0.0 112.123 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.434 HD11 HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -139.02 -167.15 2.16 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.645 1.178 . . . . 0.0 110.407 -178.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -132.71 178.05 7.15 Favored 'General case' 0 C--O 1.232 0.175 0 O-C-N 120.824 -1.173 . . . . 0.0 112.712 -176.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.27 -37.25 79.89 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.285 -0.885 . . . . 0.0 113.245 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.9 m -70.72 -18.62 62.8 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -89.23 -34.18 16.72 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.498 1.119 . . . . 0.0 110.974 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -58.04 -44.05 87.18 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.852 -0.53 . . . . 0.0 111.355 166.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -57.55 -32.68 67.34 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.48 -48.08 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 122.986 0.514 . . . . 0.0 110.851 173.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.505 HD23 HG11 ' A' ' 12' ' ' VAL . 59.0 tp -59.8 -49.28 78.32 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.247 1.019 . . . . 0.0 111.468 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.82 -46.79 84.2 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.512 0.725 . . . . 0.0 111.213 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.69 -17.06 70.68 Favored Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.456 0.942 . . . . 0.0 115.456 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -110.36 -31.83 7.16 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.963 1.381 . . . . 0.0 113.772 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 m -126.22 -14.93 5.86 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -156.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.43 28.33 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.85 109.01 1.12 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.536 1.534 . . . . 0.0 112.289 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 52.97 42.85 32.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.863 1.665 . . . . 0.0 113.072 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.406 HG12 ' N ' ' A' ' 48' ' ' ILE . 6.5 tt -53.32 156.23 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 125.529 1.532 . . . . 0.0 115.129 -171.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.406 ' N ' HG12 ' A' ' 47' ' ' ILE . 45.3 mm -116.94 -64.42 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 C-N-CA 127.899 2.48 . . . . 0.0 108.527 -177.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -133.34 155.56 49.22 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 122.036 0.922 . . . . 0.0 112.131 175.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.87 120.46 8.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 113.075 -1.875 . . . . 0.0 108.789 173.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -106.72 139.21 41.51 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.369 1.467 . . . . 0.0 109.332 170.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.57 HD13 HG22 ' A' ' 12' ' ' VAL . 55.4 tp -134.48 146.43 49.76 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.347 1.059 . . . . 0.0 108.902 164.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.53 133.36 30.72 Favored 'General case' 0 C--O 1.241 0.605 0 C-N-CA 126.844 2.058 . . . . 0.0 107.106 177.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.9 148.45 47.75 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 116.977 -1.889 . . . . 0.0 108.714 148.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.553 -172.813 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 122.052 0.93 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.7 m -140.39 -174.88 4.07 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.943 1.697 . . . . 0.0 110.528 -170.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -63.07 148.06 48.94 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.193 0.521 . . . . 0.0 110.048 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -99.43 155.19 17.67 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 152.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.5 t -128.03 89.37 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.744 1.218 . . . . 0.0 108.097 163.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 3.7 m -64.94 128.96 37.92 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 165.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.5 ttm -143.14 146.1 33.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 122.107 0.956 . . . . 0.0 111.764 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -125.29 112.88 16.89 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 126.389 1.876 . . . . 0.0 109.447 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.56 165.32 11.9 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 113.955 -1.475 . . . . 0.0 109.803 176.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -119.59 121.5 39.46 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.745 1.218 . . . . 0.0 109.227 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.77 163.36 14.26 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 122.408 1.099 . . . . 0.0 110.599 175.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -32.36 67.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.038 1.735 . . . . 0.0 113.021 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -75.76 -7.3 54.07 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.09 0.556 . . . . 0.0 112.228 174.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.36 3.25 63.26 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.433 1.492 . . . . 0.0 113.694 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -77.98 119.9 22.07 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 118.182 0.991 . . . . 0.0 110.663 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -82.46 132.12 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.536 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -134.55 125.13 26.67 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 122.255 1.026 . . . . 0.0 112.139 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -98.99 130.06 45.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 126.223 1.809 . . . . 0.0 110.302 -172.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -141.01 139.71 34.19 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.642 0.777 . . . . 0.0 111.749 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.18 133.85 33.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.366 159.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -119.9 76.07 1.13 Allowed 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 122.178 0.99 . . . . 0.0 108.497 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -77.9 161.41 27.6 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.762 1.625 . . . . 0.0 111.196 -175.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.79 30.73 63.33 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.797 -0.638 . . . . 0.0 113.101 171.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 16.0 mt -115.96 -179.05 3.55 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.835 1.254 . . . . 0.0 111.847 -171.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 13.3 p -134.33 179.39 6.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.412 -0.805 . . . . 0.0 111.148 171.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.61 -34.24 75.29 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -66.83 -26.73 67.06 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 173.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -87.64 -29.42 21.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.378 1.071 . . . . 0.0 111.574 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -58.83 -44.73 90.99 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.565 -0.709 . . . . 0.0 111.049 165.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.38 -27.88 67.76 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 175.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.74 -53.96 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 118.419 0.554 . . . . 0.0 110.348 171.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.99 -53.59 56.65 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.097 0.408 . . . . 0.0 111.396 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.53 -53.35 58.51 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.02 0.928 . . . . 0.0 111.269 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.92 -24.05 69.79 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-O 119.25 -0.75 . . . . 0.0 114.895 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -98.25 -26.41 14.54 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.409 1.104 . . . . 0.0 113.118 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.0 -14.38 6.09 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -155.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.31 24.6 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -168.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -79.05 98.08 6.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.434 1.894 . . . . 0.0 111.184 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 62.01 52.4 3.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.566 1.947 . . . . 0.0 112.444 -164.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.86 129.39 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.136 160.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.8 mm -105.7 -49.03 8.99 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 C-N-CA 124.221 1.009 . . . . 0.0 109.405 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -142.66 156.26 45.03 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.789 0.836 . . . . 0.0 111.3 171.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 pp -148.05 157.37 43.47 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.256 0.551 . . . . 0.0 110.867 155.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -143.38 94.42 2.61 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 127.086 2.154 . . . . 0.0 107.866 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tt -81.14 139.93 35.31 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.852 0.861 . . . . 0.0 109.636 167.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -148.82 122.16 9.02 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.988 0.915 . . . . 0.0 110.235 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -65.56 92.15 0.14 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 122.32 1.057 . . . . 0.0 108.301 160.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.37 -0.65 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 -159.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.254 1.308 0 C-N-CA 129.26 3.024 . . . . 0.0 112.971 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -146.24 177.76 8.76 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.899 0.88 . . . . 0.0 112.219 171.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 54' ' ' LYS . 38.7 m-85 -50.23 149.31 2.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.713 1.605 . . . . 0.0 113.787 -163.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -87.73 140.63 29.31 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.112 0.965 . . . . 0.0 110.276 163.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 t -135.32 85.57 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.833 1.653 . . . . 0.0 107.726 164.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.5 m -77.76 116.58 18.39 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 2.9 tpp -127.58 155.52 43.72 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.485 0.66 . . . . 0.0 110.236 -170.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' N ' ' HG3' ' A' ' 14' ' ' MET . 3.2 pp -135.06 144.79 47.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.786 0.834 . . . . 0.0 111.918 158.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.82 155.55 42.43 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.947 1.699 . . . . 0.0 109.641 -168.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -69.84 123.89 22.62 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.221 0.534 . . . . 0.0 111.721 175.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -71.7 164.71 25.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.525 1.93 . . . . 0.0 111.907 168.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -53.63 -34.95 60.3 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.867 1.267 . . . . 0.0 113.21 169.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.74 -3.6 26.23 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.603 1.161 . . . . 0.0 113.268 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.47 1.61 80.73 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.26 1.41 . . . . 0.0 114.455 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -92.03 147.61 22.82 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 118.672 1.236 . . . . 0.0 111.671 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -73.86 113.04 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 123.624 0.77 . . . . 0.0 109.14 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -105.27 140.84 37.81 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.648 0.737 . . . . 0.0 110.048 174.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -97.74 135.68 39.18 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 126.807 2.043 . . . . 0.0 110.503 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -151.03 125.66 9.6 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.105 0.955 . . . . 0.0 112.203 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -69.64 134.95 49.32 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.326 168.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -130.8 79.85 1.92 Allowed 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 124.064 0.946 . . . . 0.0 108.508 167.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.7 164.21 13.99 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.165 0.986 . . . . 0.0 111.498 -176.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.31 36.76 59.5 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 pp -138.56 170.86 15.26 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 125.834 1.653 . . . . 0.0 109.884 175.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.1 p -114.75 178.57 4.23 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -170.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.96 -25.53 64.59 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.615 -1.303 . . . . 0.0 114.189 -169.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.6 p -75.12 -27.27 59.74 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.646 0.779 . . . . 0.0 112.799 169.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -76.89 -33.73 57.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.51 1.124 . . . . 0.0 110.91 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -60.02 -43.09 95.49 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.255 1.022 . . . . 0.0 112.033 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -55.21 -38.56 68.58 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 172.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.98 -44.99 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 123.892 0.877 . . . . 0.0 110.821 175.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.48 -52.49 65.43 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.03 0.832 . . . . 0.0 111.444 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -57.81 -47.21 83.26 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.545 0.738 . . . . 0.0 111.458 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.12 -24.97 63.8 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.048 1.309 . . . . 0.0 115.219 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -95.5 -1.01 51.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.847 1.259 . . . . 0.0 114.039 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.1 p -53.88 -53.72 48.59 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.12 0.873 . . . . 0.0 112.984 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.37 -5.51 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 128.877 2.871 . . . . 0.0 117.832 170.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -130.93 -177.84 4.55 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 128.204 2.602 . . . . 0.0 111.116 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.03 88.34 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.967 1.307 . . . . 0.0 113.514 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 tp -65.5 122.17 15.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 129.093 2.957 . . . . 0.0 110.864 168.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.3 mm -114.18 -66.47 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 C-N-CA 126.252 1.821 . . . . 0.0 109.029 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -133.23 138.79 46.65 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.333 1.424 . . . . 0.0 113.067 -170.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 tt -146.67 119.93 8.94 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.245 2.218 . . . . 0.0 108.571 -170.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -126.44 91.7 3.41 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.699 1.6 . . . . 0.0 110.188 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 tt -82.79 138.14 34.09 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.824 0.85 . . . . 0.0 110.146 168.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -152.01 118.88 5.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.323 1.449 . . . . 0.0 109.458 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -60.9 144.4 53.03 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-O 121.874 0.845 . . . . 0.0 111.613 173.312 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.396 -179.258 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 C--O 1.234 0.272 0 CA-C-O 123.041 1.401 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.4 m 138.1 -174.91 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.971 2.908 . . . . 0.0 111.205 -144.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -94.52 162.28 13.87 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.179 1.392 . . . . 0.0 109.82 151.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -126.73 126.31 43.26 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 128.198 2.599 . . . . 0.0 107.945 173.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -126.24 97.27 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 C-N-CA 124.546 1.139 . . . . 0.0 109.841 -171.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 10.2 m -90.03 94.39 9.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.233 1.013 . . . . 0.0 108.496 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 54.2 ttm -94.05 154.24 17.73 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.633 0.73 . . . . 0.0 109.954 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -147.3 113.76 5.97 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.705 1.202 . . . . 0.0 109.898 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.42 -173.66 2.35 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.544 1.138 . . . . 0.0 110.421 173.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -118.07 134.14 55.26 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.705 1.202 . . . . 0.0 110.48 167.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.51 161.07 30.79 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.478 1.911 . . . . 0.0 111.461 173.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -55.21 -29.67 58.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.214 1.406 . . . . 0.0 113.105 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -71.89 -3.15 20.78 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.97 0.908 . . . . 0.0 113.357 174.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.02 13.9 78.33 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.266 1.412 . . . . 0.0 113.693 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -107.34 152.15 24.53 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.63 1.572 . . . . 0.0 110.736 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -68.76 152.22 45.61 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 122.023 0.916 . . . . 0.0 112.87 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -136.85 92.46 2.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.644 1.977 . . . . 0.0 108.594 -163.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -81.37 127.63 32.96 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.558 1.943 . . . . 0.0 111.645 -169.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -132.8 79.97 1.87 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.095 1.758 . . . . 0.0 108.589 -173.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -83.47 131.28 35.03 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 111.426 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -140.48 82.11 1.84 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.877 1.271 . . . . 0.0 111.066 -176.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -69.49 166.15 19.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.027 1.331 . . . . 0.0 110.193 166.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.23 26.22 72.66 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.081 -0.844 . . . . 0.0 114.633 159.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.06 -172.75 2.96 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.103 0.961 . . . . 0.0 111.849 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.4 p -127.95 176.97 7.18 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -173.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.21 -42.25 76.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.955 0.902 . . . . 0.0 112.792 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 26.6 m -67.14 -30.7 70.76 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.55 -0.719 . . . . 0.0 112.775 176.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.88 -34.87 57.74 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.748 0.819 . . . . 0.0 111.2 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -58.72 -44.92 90.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.703 1.201 . . . . 0.0 111.82 169.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -57.92 -38.23 75.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.344 0.657 . . . . 0.0 112.053 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -66.41 -49.61 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.144 0.578 . . . . 0.0 111.2 171.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 tp -52.65 -54.92 26.65 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.969 0.908 . . . . 0.0 111.144 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.84 -50.34 73.63 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.421 1.088 . . . . 0.0 111.501 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.09 -17.88 56.42 Favored Glycine 0 CA--C 1.534 1.263 0 N-CA-C 115.537 0.975 . . . . 0.0 115.537 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -111.52 -19.45 12.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.844 1.258 . . . . 0.0 113.875 -175.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.49 -13.44 2.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -161.001 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.56 48.48 0.19 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -172.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.36 98.0 11.52 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.528 1.531 . . . . 0.0 111.392 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 64.62 71.52 0.46 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.563 1.945 . . . . 0.0 111.625 -172.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tt -72.94 137.56 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.412 1.485 . . . . 0.0 113.616 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 37.8 mm -120.01 -58.09 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 129.562 3.145 . . . . 0.0 108.037 -175.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -137.02 160.4 39.04 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.538 1.063 . . . . 0.0 112.751 174.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tt -151.33 113.01 4.43 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.761 1.225 . . . . 0.0 109.306 173.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 94.02 4.72 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 123.982 0.913 . . . . 0.0 109.805 176.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tt -92.53 132.42 36.84 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.35 0.66 . . . . 0.0 109.271 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -146.41 120.58 9.5 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.092 1.357 . . . . 0.0 110.709 -174.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -61.13 113.3 2.5 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 121.175 -0.953 . . . . 0.0 110.153 165.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.6 t -74.37 152.56 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.245 0.845 0 C-N-CA 125.834 1.654 . . . . 0.0 112.854 -171.285 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 123.625 1.679 . . . . 0.0 113.023 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m 154.6 -175.22 0.0 OUTLIER 'General case' 0 C--O 1.237 0.421 0 C-N-CA 128.893 2.877 . . . . 0.0 108.214 -154.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -98.55 158.4 15.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 122.414 1.102 . . . . 0.0 111.217 156.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -106.39 148.8 27.66 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.628 1.571 . . . . 0.0 108.145 160.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t -130.21 90.22 1.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 124.523 1.129 . . . . 0.0 108.486 168.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.0 m -75.57 105.42 6.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 170.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 58.3 ttm -125.2 150.24 47.18 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.619 0.768 . . . . 0.0 111.332 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.406 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 1.2 tt -135.77 117.07 14.59 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.655 1.182 . . . . 0.0 111.024 -172.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -116.29 172.29 7.28 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 126.261 1.825 . . . . 0.0 110.86 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -131.04 139.74 49.98 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.435 1.094 . . . . 0.0 110.162 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -152.8 -176.83 5.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.566 0.747 . . . . 0.0 110.252 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 36.22 75.23 0.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.42 2.688 . . . . 0.0 112.918 163.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t70 78.92 -3.32 2.22 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.024 2.129 . . . . 0.0 113.903 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.74 11.01 10.64 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.738 1.161 . . . . 0.0 113.68 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -67.05 102.96 1.07 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.449 1.5 . . . . 0.0 109.423 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -77.81 139.53 39.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.36 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -140.34 133.91 30.18 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.717 0.77 . . . . 0.0 111.645 -175.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.406 ' CZ ' HD12 ' A' ' 15' ' ' LEU . 7.1 m-85 -80.82 151.29 28.79 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.675 169.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -138.2 152.02 48.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.788 1.235 . . . . 0.0 109.956 153.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -120.09 81.55 1.76 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.239 1.416 . . . . 0.0 109.145 -169.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -85.18 71.11 10.92 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.284 0.564 . . . . 0.0 110.754 -168.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -66.45 160.55 24.69 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.788 1.235 . . . . 0.0 111.201 171.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.75 22.26 77.32 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.984 170.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 mt -105.63 -178.58 3.69 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.739 1.216 . . . . 0.0 111.777 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 p -132.44 177.25 7.74 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.73 1.212 . . . . 0.0 111.166 170.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.29 -33.21 75.01 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.279 -0.888 . . . . 0.0 112.978 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.3 m -69.23 -22.54 63.86 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 173.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -89.32 -31.25 17.9 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.388 1.075 . . . . 0.0 111.246 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -58.43 -43.81 88.88 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.617 -0.677 . . . . 0.0 111.102 164.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -56.78 -32.99 66.19 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.358 0.874 . . . . 0.0 113.358 173.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.7 t -68.84 -52.72 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 118.323 0.51 . . . . 0.0 110.396 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.02 -48.58 79.63 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.305 0.502 . . . . 0.0 111.238 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -61.25 -39.98 92.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.436 1.095 . . . . 0.0 112.758 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.47 -12.89 77.45 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 118.866 -0.963 . . . . 0.0 115.215 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -118.24 -28.83 5.7 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.665 1.233 . . . . 0.0 113.501 -174.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -126.25 -24.11 3.74 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -162.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.41 31.55 0.06 Allowed 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -175.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -57.58 -50.61 72.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.378 1.871 . . . . 0.0 113.509 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -122.7 51.76 1.38 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.483 1.513 . . . . 0.0 109.503 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 tp -60.1 126.5 17.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 126.046 1.738 . . . . 0.0 112.757 -172.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mm -110.22 -54.21 5.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.153 0 C-N-CA 127.274 2.23 . . . . 0.0 108.337 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -140.46 154.79 46.76 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 123.641 0.776 . . . . 0.0 111.226 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.41 149.14 34.19 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.946 155.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 ttp-105 -139.72 99.16 3.64 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.472 1.909 . . . . 0.0 108.26 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -99.1 141.17 32.2 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.184 174.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -149.21 124.47 10.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.8 -169.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 112.29 5.92 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 160.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.235 0.325 0 CA-C-O 122.46 1.124 . . . . 0.0 112.896 -156.895 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 CA--C 1.534 0.333 0 CA-C-O 121.03 0.443 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.7 t -168.12 -178.09 3.56 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.114 2.166 . . . . 0.0 108.874 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -39.33 128.3 1.81 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.5 1.92 . . . . 0.0 114.667 -161.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -97.91 94.82 7.1 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 126.606 1.963 . . . . 0.0 109.208 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.88 131.29 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 167.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 91.4 m -134.02 92.79 3.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.715 -1.216 . . . . 0.0 107.715 173.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.2 ttp -112.89 162.65 15.58 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.502 1.121 . . . . 0.0 109.862 -175.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -150.43 156.67 41.91 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 122.109 0.957 . . . . 0.0 111.373 167.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.84 175.67 7.49 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.007 1.723 . . . . 0.0 109.893 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -126.71 134.06 50.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.571 1.148 . . . . 0.0 109.521 171.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -72.83 160.03 32.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.404 1.481 . . . . 0.0 110.94 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.18 -27.07 68.15 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.782 0.833 . . . . 0.0 112.289 168.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.47 -7.06 45.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.901 1.28 . . . . 0.0 112.973 171.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.66 1.58 73.84 Favored Glycine 0 C--N 1.341 0.837 0 C-N-CA 124.643 1.116 . . . . 0.0 114.718 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 pttm -91.11 146.0 24.21 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.452 1.126 . . . . 0.0 110.937 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -85.27 149.47 25.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.867 174.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -143.85 142.26 30.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.683 0.754 . . . . 0.0 110.923 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -96.16 153.94 17.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 122.558 1.17 . . . . 0.0 112.738 -169.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -136.86 70.06 1.41 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.086 2.554 . . . . 0.0 107.878 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -83.93 116.51 22.82 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.346 1.458 . . . . 0.0 109.8 172.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -144.93 91.36 2.15 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.829 1.652 . . . . 0.0 110.13 -174.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.46 169.35 9.97 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 170.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.76 36.7 66.54 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 123.189 0.423 . . . . 0.0 113.141 176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.12 -164.74 1.54 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.145 0.978 . . . . 0.0 109.977 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.9 p -137.82 -178.54 5.3 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.774 -1.204 . . . . 0.0 112.943 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.96 -35.71 81.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.297 -0.877 . . . . 0.0 112.395 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 45.2 m -72.95 -18.71 61.35 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.812 0.845 . . . . 0.0 113.196 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -86.43 -37.38 18.39 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.453 1.101 . . . . 0.0 110.566 172.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -59.6 -41.31 90.06 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.564 -0.71 . . . . 0.0 111.552 166.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.43 -39.65 73.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.341 1.056 . . . . 0.0 112.212 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.04 -51.99 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.27 1.028 . . . . 0.0 109.927 172.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.58 -50.47 70.0 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.944 0.898 . . . . 0.0 112.25 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -57.55 -53.8 54.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.555 1.142 . . . . 0.0 110.594 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.24 -22.83 61.34 Favored Glycine 0 CA--C 1.534 1.269 0 N-CA-C 115.036 0.774 . . . . 0.0 115.036 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -89.57 -19.97 24.33 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.389 1.095 . . . . 0.0 112.786 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -125.96 -27.75 3.27 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -161.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.75 65.35 1.88 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.806 1.242 . . . . 0.0 113.612 -169.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.31 -64.89 0.76 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.285 1.034 . . . . 0.0 109.966 165.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -117.05 178.68 4.27 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 148.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -121.27 154.87 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 163.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.8 mm -109.44 -61.79 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -136.51 147.79 47.3 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.508 1.123 . . . . 0.0 110.559 172.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 tp -149.53 104.88 3.4 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.941 1.296 . . . . 0.0 108.937 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.1 145.15 26.84 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.859 0.864 . . . . 0.0 110.059 168.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 tt -143.54 136.76 27.9 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.996 1.318 . . . . 0.0 108.59 164.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.84 142.89 49.19 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 124.564 1.146 . . . . 0.0 108.382 169.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.4 ' HE3' ' OXT' ' B' ' 56' ' ' LEU . 18.2 ptmt -63.32 153.27 35.47 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 119.389 -0.924 . . . . 0.0 111.871 161.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.6 t -136.15 8.71 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 123.255 1.502 . . . . 0.0 113.382 172.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.4 ' OXT' ' HE3' ' B' ' 54' ' ' LYS . 63.5 tp . . . . . 0 C--O 1.251 1.174 0 C-N-CA 131.25 3.82 . . . . 0.0 109.121 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.6 m 78.67 165.09 0.21 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.693 2.797 . . . . 0.0 111.816 -162.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -47.0 144.09 2.68 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.949 2.1 . . . . 0.0 113.565 -155.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -89.99 122.14 32.72 Favored 'General case' 0 C--O 1.231 0.081 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 165.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.3 t -106.82 135.41 45.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 158.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 m -137.44 102.29 4.74 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.0 tmm? -115.55 161.34 18.76 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.921 0.889 . . . . 0.0 109.803 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -155.1 153.26 30.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 122.191 0.996 . . . . 0.0 111.134 174.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 43' ' ' THR . 88.3 mt -140.68 173.85 11.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 126.21 1.804 . . . . 0.0 109.071 -174.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -109.52 131.81 54.72 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 122.046 0.927 . . . . 0.0 110.478 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.14 164.03 26.04 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.862 1.665 . . . . 0.0 111.03 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.92 -31.55 66.9 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.155 0.982 . . . . 0.0 113.172 173.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -74.75 -2.92 28.62 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.469 0.652 . . . . 0.0 112.542 175.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.7 8.72 79.56 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.245 1.403 . . . . 0.0 113.533 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -89.03 152.52 21.64 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.648 1.179 . . . . 0.0 111.164 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -89.52 135.66 33.47 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.097 173.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -122.37 146.82 46.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.651 0.78 . . . . 0.0 109.834 171.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -97.68 160.5 14.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.618 -174.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -147.54 69.26 1.14 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.01 2.124 . . . . 0.0 107.558 -171.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -73.57 133.78 43.61 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.079 1.752 . . . . 0.0 111.05 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -148.96 83.24 1.45 Allowed 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 125.472 1.509 . . . . 0.0 110.661 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.49 ' HE2' HG11 ' A' ' 55' ' ' VAL . 60.2 tttm -88.75 155.73 19.39 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.845 0.355 . . . . 0.0 111.507 168.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.5 33.8 9.95 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.917 -0.583 . . . . 0.0 113.759 170.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.38 -166.09 1.79 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.647 1.179 . . . . 0.0 110.194 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.0 p -135.83 -179.83 5.9 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.137 -0.977 . . . . 0.0 113.249 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.57 -36.02 81.35 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.596 -0.69 . . . . 0.0 112.618 -175.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.4 m -68.81 -22.38 64.26 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 173.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -85.65 -30.43 23.23 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.297 1.039 . . . . 0.0 111.08 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -62.13 -38.65 89.73 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.314 -0.867 . . . . 0.0 112.045 168.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -56.55 -37.12 70.08 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.187 0.903 . . . . 0.0 112.643 172.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.7 t -68.8 -48.54 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 123.792 0.837 . . . . 0.0 110.749 175.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.97 -53.13 61.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.557 1.143 . . . . 0.0 111.72 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -61.41 -44.02 97.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.688 0.795 . . . . 0.0 111.594 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.99 -25.07 70.6 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.645 0.641 . . . . 0.0 114.221 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -78.86 -21.9 46.83 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.405 1.102 . . . . 0.0 113.272 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.48 HG23 HD11 ' A' ' 16' ' ' LEU . 63.8 m -55.87 -62.02 1.98 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.57 1.548 . . . . 0.0 113.29 -170.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 48.29 35.9 6.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.855 1.662 . . . . 0.0 114.836 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -141.41 20.99 2.22 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.297 1.039 . . . . 0.0 112.094 -171.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 62.01 7.91 2.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.365 2.266 . . . . 0.0 116.361 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm 63.34 152.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 127.598 2.359 . . . . 0.0 113.351 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.4 mm -113.61 -59.33 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 CA-C-N 114.59 -1.186 . . . . 0.0 107.936 162.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -149.94 147.71 28.22 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 120.899 0.38 . . . . 0.0 111.272 171.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 pp -136.63 158.09 45.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.622 0.725 . . . . 0.0 111.475 163.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -135.27 145.42 47.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 127.884 2.474 . . . . 0.0 108.542 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 tt -140.62 144.68 35.91 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.519 1.128 . . . . 0.0 108.761 166.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -150.95 122.07 7.72 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.042 1.337 . . . . 0.0 108.487 -173.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 133.44 48.19 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 122.413 1.101 . . . . 0.0 110.229 165.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.49 HG11 ' HE2' ' A' ' 29' ' ' LYS . 33.3 m . . . . . 0 N--CA 1.45 -0.443 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.23 -167.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.401 ' CG ' ' H ' ' B' ' 9' ' ' SER . 23.5 t70 . . . . . 0 CA--C 1.538 0.496 0 CA-C-O 122.929 1.347 . . . . 0.0 114.17 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.401 ' H ' ' CG ' ' B' ' 8' ' ' ASP . 20.2 m 64.73 162.43 0.13 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.969 2.508 . . . . 0.0 113.339 -173.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -60.69 159.9 10.12 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.258 1.023 . . . . 0.0 112.127 -169.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -117.79 142.5 47.21 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.364 1.466 . . . . 0.0 109.45 171.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t -123.85 92.97 2.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 C-N-CA 126.338 1.855 . . . . 0.0 108.01 175.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 21.2 m -85.04 105.26 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.318 1.047 . . . . 0.0 108.485 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 4.0 mmt -114.3 150.15 34.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 125.388 1.475 . . . . 0.0 111.608 -169.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.31 113.64 8.51 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.074 0.95 . . . . 0.0 110.435 174.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.72 173.2 8.71 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.708 1.603 . . . . 0.0 109.921 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -116.86 130.35 56.65 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.593 0.757 . . . . 0.0 110.194 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -76.9 165.16 25.06 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.17 0.988 . . . . 0.0 111.849 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -57.38 -28.62 63.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.426 1.49 . . . . 0.0 113.839 173.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.53 -10.46 59.81 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.857 1.263 . . . . 0.0 112.862 172.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.78 3.69 73.68 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.997 1.284 . . . . 0.0 113.365 -175.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -80.16 117.39 20.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.068 1.347 . . . . 0.0 109.826 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -76.39 127.45 32.88 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 169.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -132.47 131.1 41.34 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.86 0.838 . . . . 0.0 111.358 -175.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -75.35 149.87 38.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.01 165.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -149.11 147.14 28.13 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.52 0.728 . . . . 0.0 110.521 160.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -115.31 86.93 2.55 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.714 1.606 . . . . 0.0 108.983 -168.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -85.93 85.3 7.38 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -86.27 164.6 17.05 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 125.06 1.344 . . . . 0.0 112.066 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.39 36.48 55.01 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.168 0.889 . . . . 0.0 113.661 166.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.38 -161.35 1.17 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.716 0.806 . . . . 0.0 111.108 -173.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 51.7 p -143.02 -176.59 4.97 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.086 -1.009 . . . . 0.0 112.94 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.2 -34.91 79.49 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -174.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.0 p -68.07 -25.24 65.24 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.277 -0.889 . . . . 0.0 112.684 173.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -80.93 -29.97 35.37 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.1 0.96 . . . . 0.0 112.211 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -59.28 -46.59 88.12 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.503 -0.748 . . . . 0.0 111.193 165.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.92 -27.73 69.02 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.475 0.71 . . . . 0.0 112.772 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.34 -51.37 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.756 170.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -54.39 47.11 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.36 0.982 . . . . 0.0 110.347 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -61.18 -41.42 96.76 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.386 1.074 . . . . 0.0 112.413 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.74 -36.03 30.25 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 124.014 0.816 . . . . 0.0 114.021 -174.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -79.47 -29.8 41.87 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.093 0.946 . . . . 0.0 111.63 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 58.2 m -65.66 -50.37 65.18 Favored 'General case' 0 C--O 1.227 -0.092 0 C-N-CA 123.37 0.668 . . . . 0.0 111.472 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 47.13 39.07 7.53 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.903 1.681 . . . . 0.0 114.779 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -126.93 165.32 19.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.255 1.022 . . . . 0.0 110.45 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.88 110.37 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 123.115 1.436 . . . . 0.0 111.144 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.92 148.74 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 113.978 -1.465 . . . . 0.0 110.824 -177.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -101.25 -59.91 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -139.25 155.05 48.03 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.682 0.793 . . . . 0.0 110.298 165.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 pp -147.06 165.79 28.84 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.689 0.757 . . . . 0.0 111.791 159.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -141.95 161.42 38.02 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.524 1.93 . . . . 0.0 110.402 168.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.7 tp -139.46 135.84 33.98 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 126.103 1.761 . . . . 0.0 106.257 158.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -143.36 115.35 8.32 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.543 1.137 . . . . 0.0 108.854 -167.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.79 113.63 12.29 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 167.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.12 151.64 8.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 114.085 -1.416 . . . . 0.0 111.981 -159.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-N 112.825 -1.988 . . . . 0.0 114.368 -172.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.6 m -58.4 155.88 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 O-C-N 124.395 1.059 . . . . 0.0 111.91 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -32.73 96.66 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 128.918 2.887 . . . . 0.0 114.578 176.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -74.7 -49.74 20.1 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.206 -0.934 . . . . 0.0 111.135 173.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -151.42 76.87 1.23 Allowed 'General case' 0 C--O 1.24 0.585 0 C-N-CA 124.66 1.184 . . . . 0.0 109.453 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 64.63 -32.01 0.13 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 129.098 2.959 . . . . 0.0 114.98 -165.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -61.8 87.91 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 126.97 2.108 . . . . 0.0 114.097 -172.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -154.52 -74.6 0.12 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.975 1.71 . . . . 0.0 109.113 160.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -149.35 -174.49 4.68 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 128.749 2.819 . . . . 0.0 109.308 -169.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -45.35 126.57 6.54 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.542 1.537 . . . . 0.0 113.086 -168.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.25 127.37 31.97 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.883 0.873 . . . . 0.0 109.27 168.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -126.62 129.01 71.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 125.331 1.453 . . . . 0.0 108.335 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 m -136.82 102.82 5.0 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -174.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.4 mtm -108.52 165.28 11.64 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.482 0.658 . . . . 0.0 112.574 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -145.72 118.98 8.91 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 127.003 2.121 . . . . 0.0 109.146 -176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -126.1 160.3 30.51 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.051 0.94 . . . . 0.0 109.893 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -102.6 128.0 49.46 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.54 0.736 . . . . 0.0 111.734 -171.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -75.21 163.37 27.59 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.427 1.091 . . . . 0.0 112.332 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -58.02 -25.07 60.67 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.517 1.127 . . . . 0.0 113.176 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.35 -9.85 37.3 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.68 14.63 69.94 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 124.89 1.234 . . . . 0.0 113.674 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -121.65 157.84 29.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 125.162 1.385 . . . . 0.0 111.072 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.0 150.75 24.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.504 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -128.62 146.97 50.71 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.901 1.68 . . . . 0.0 109.67 167.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -85.9 156.09 20.66 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.993 0.917 . . . . 0.0 113.01 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -132.07 77.34 1.75 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.442 2.297 . . . . 0.0 107.69 164.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -73.68 127.17 32.04 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.456 1.103 . . . . 0.0 110.634 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -144.72 94.5 2.56 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.719 1.608 . . . . 0.0 110.137 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -79.54 162.72 25.2 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.058 -0.401 . . . . 0.0 110.332 168.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.49 33.2 72.01 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-O 119.451 -0.638 . . . . 0.0 113.75 172.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.23 -176.16 3.14 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 122.175 0.988 . . . . 0.0 110.586 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.4 p -132.51 175.73 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 124.186 0.994 . . . . 0.0 110.498 165.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.489 HD11 HG21 ' B' ' 47' ' ' ILE . 11.9 mt -60.13 -35.52 75.47 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.659 -0.651 . . . . 0.0 112.133 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.2 m -67.83 -35.41 78.55 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.811 -0.556 . . . . 0.0 112.138 174.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -74.96 -31.43 61.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.537 0.735 . . . . 0.0 111.788 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -59.12 -46.32 88.63 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.679 0.792 . . . . 0.0 111.624 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -56.96 -39.03 73.83 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.536 0.607 . . . . 0.0 112.18 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.45 -53.74 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 122.803 0.441 . . . . 0.0 110.492 172.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.06 -51.42 69.37 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.689 0.677 . . . . 0.0 112.161 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -60.47 -36.6 78.67 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.105 1.362 . . . . 0.0 112.361 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.14 -30.14 35.38 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.311 -0.716 . . . . 0.0 114.88 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -99.22 -26.3 14.23 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.708 1.254 . . . . 0.0 112.998 -169.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -71.44 -33.27 69.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.318 0.508 . . . . 0.0 111.562 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.23 -1.78 0.06 Allowed 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 118.832 2.901 . . . . 0.0 118.832 161.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.51 -178.22 6.98 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.71 87.51 0.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.134 0.974 . . . . 0.0 110.947 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.51 132.63 33.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.835 1.654 . . . . 0.0 111.23 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mm -119.22 -47.68 3.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 C-N-CA 126.839 2.055 . . . . 0.0 108.965 -171.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.468 ' NZ ' ' OD2' ' B' ' 53' ' ' ASP . 45.4 mttm -136.03 156.49 48.65 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 118.909 0.777 . . . . 0.0 110.989 167.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 pp -144.82 160.59 41.02 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.69 158.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.0 mtm-85 -138.85 151.03 46.65 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 126.566 1.946 . . . . 0.0 111.045 173.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 tt -137.06 140.75 42.24 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.682 1.593 . . . . 0.0 108.633 160.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -145.68 118.15 8.52 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.67 1.588 . . . . 0.0 108.374 -172.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 145.6 53.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.379 174.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.35 148.29 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 122.775 1.274 . . . . 0.0 112.957 -170.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.8 tp . . . . . 0 C--O 1.252 1.191 0 C-N-CA 127.893 2.477 . . . . 0.0 112.477 -175.639 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 p -65.54 140.43 19.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 122.201 1.001 . . . . 0.0 112.11 -172.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -74.35 37.08 0.1 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.842 2.057 . . . . 0.0 113.347 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -144.97 10.1 1.32 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.993 2.117 . . . . 0.0 112.084 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -150.83 -44.66 0.12 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.315 1.446 . . . . 0.0 110.766 -170.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -69.18 -2.05 9.41 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.454 1.101 . . . . 0.0 113.231 166.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 92.7 t -109.84 105.93 19.74 Favored 'Isoleucine or valine' 0 C--N 1.341 0.196 0 C-N-CA 125.896 1.678 . . . . 0.0 110.581 -165.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -141.9 -68.3 0.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.939 1.296 . . . . 0.0 108.106 163.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -139.75 174.11 10.85 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.64 2.376 . . . . 0.0 108.553 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -45.84 150.72 0.51 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.212 1.805 . . . . 0.0 112.583 -167.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -104.58 138.98 40.11 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.525 1.93 . . . . 0.0 109.491 169.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -128.81 117.06 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 127.03 2.132 . . . . 0.0 108.616 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 27.6 m -111.35 130.0 55.82 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 29.7 ttm -139.05 149.6 44.8 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.396 0.617 . . . . 0.0 111.61 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -141.18 119.88 12.52 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.49 1.116 . . . . 0.0 109.73 -173.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.8 mt -127.5 165.69 19.39 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.226 1.41 . . . . 0.0 109.718 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -113.75 149.71 34.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 122.341 1.067 . . . . 0.0 112.51 -176.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.74 177.36 4.79 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.812 2.045 . . . . 0.0 111.541 -173.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.19 -30.96 69.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.465 1.106 . . . . 0.0 113.935 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -81.77 -8.7 59.72 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.959 0.799 . . . . 0.0 112.75 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.04 22.11 77.11 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.049 0.833 . . . . 0.0 114.064 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -98.09 -15.32 20.03 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.586 1.155 . . . . 0.0 113.472 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 76.76 157.37 0.18 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.928 2.491 . . . . 0.0 113.018 167.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -139.74 118.74 12.59 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 122.407 1.099 . . . . 0.0 110.563 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -93.18 140.73 29.2 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 127.964 2.505 . . . . 0.0 110.059 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -150.63 153.74 36.22 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 122.51 0.324 . . . . 0.0 110.755 165.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -120.19 150.85 39.99 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 122.709 1.243 . . . . 0.0 111.488 170.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -143.97 94.5 2.59 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.359 1.864 . . . . 0.0 107.706 -166.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.7 167.73 11.39 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.118 0.785 . . . . 0.0 113.118 -173.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.8 37.0 57.47 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 -175.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -138.81 -167.52 2.23 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.692 1.597 . . . . 0.0 109.964 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.3 p -135.06 178.93 6.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 74.0 mt -57.65 -37.78 73.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.218 1.007 . . . . 0.0 112.576 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 18.8 m -65.11 -30.29 71.22 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -82.34 -32.22 29.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.558 1.143 . . . . 0.0 111.683 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -57.35 -47.58 81.22 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.943 0.897 . . . . 0.0 111.6 164.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.12 -31.27 67.0 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.912 0.885 . . . . 0.0 112.688 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.19 -55.33 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.0 170.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.51 -43.44 97.08 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.325 0.966 . . . . 0.0 112.32 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -58.46 -46.42 86.61 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.506 0.722 . . . . 0.0 111.844 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.57 -27.1 70.08 Favored Glycine 0 CA--C 1.536 1.391 0 N-CA-C 114.632 0.613 . . . . 0.0 114.632 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -76.75 -23.69 53.0 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.553 1.541 . . . . 0.0 112.845 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 34.7 m -49.83 -65.19 0.61 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.677 1.591 . . . . 0.0 112.5 -170.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 45.09 29.05 0.45 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.39 1.876 . . . . 0.0 115.674 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -143.25 177.8 8.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.887 1.675 . . . . 0.0 110.461 -168.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.89 93.53 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.626 1.571 . . . . 0.0 111.631 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.489 HG21 HD11 ' A' ' 33' ' ' LEU . 5.8 tp -71.31 132.1 33.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 127.36 2.264 . . . . 0.0 111.741 170.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mm -124.89 -58.8 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.142 0 C-N-CA 126.302 1.841 . . . . 0.0 108.419 -176.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -137.45 154.47 49.92 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.102 0.953 . . . . 0.0 111.983 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.1 tt -150.39 136.61 18.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.448 1.899 . . . . 0.0 107.812 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -143.38 148.27 35.95 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.933 1.293 . . . . 0.0 110.201 173.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 tt -137.31 148.79 46.59 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.238 1.415 . . . . 0.0 109.296 167.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.468 ' OD2' ' NZ ' ' A' ' 49' ' ' LYS . 8.4 t0 -153.05 104.5 2.83 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.634 1.573 . . . . 0.0 108.052 -170.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.22 101.53 0.56 Allowed 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.178 -0.951 . . . . 0.0 108.893 169.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 32.8 m -55.02 144.48 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 114.473 -1.24 . . . . 0.0 112.95 -172.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.9 tp . . . . . 0 C--O 1.254 1.323 0 C-N-CA 129.905 3.282 . . . . 0.0 115.497 -177.344 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.7 p -58.28 134.97 22.96 Favored 'Isoleucine or valine' 0 C--N 1.337 0.049 0 CA-C-O 121.892 0.853 . . . . 0.0 111.026 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 47.88 48.59 17.68 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.358 1.463 . . . . 0.0 113.797 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -64.7 -64.19 0.93 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.779 157.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -149.71 88.98 1.58 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.983 0.913 . . . . 0.0 109.131 172.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.96 3.21 1.17 Allowed 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -170.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.0 t -69.72 140.23 19.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 126.051 1.74 . . . . 0.0 113.014 -172.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.91 178.93 0.12 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 130.078 3.351 . . . . 0.0 117.732 170.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.8 p 65.67 176.08 0.22 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 131.183 3.793 . . . . 0.0 115.243 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.515 ' CZ ' HD21 ' A' ' 33' ' ' LEU . 61.1 m-85 -70.77 140.92 51.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 120.846 -1.159 . . . . 0.0 108.906 152.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -139.51 124.89 19.1 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 126.166 1.787 . . . . 0.0 107.651 -168.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 t -128.97 132.32 67.46 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 124.993 1.317 . . . . 0.0 109.858 -165.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 m -116.2 122.74 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.333 1.453 . . . . 0.0 107.751 164.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.1 ttp -131.67 153.36 50.07 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 pp -152.27 151.42 30.9 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.418 1.104 . . . . 0.0 111.436 169.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -126.45 175.77 7.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.59 1.956 . . . . 0.0 109.697 -169.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -115.75 138.78 50.79 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.224 1.01 . . . . 0.0 111.183 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -80.86 161.15 24.55 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.348 1.859 . . . . 0.0 110.92 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.96 -31.22 62.79 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.528 1.531 . . . . 0.0 113.073 168.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' OD2' ' NZ ' ' A' ' 22' ' ' LYS . 30.1 t70 -74.51 -8.87 57.75 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 173.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.75 3.22 71.28 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.165 1.364 . . . . 0.0 114.447 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 62.9 mttp -83.05 160.17 22.0 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.39 1.076 . . . . 0.0 110.495 174.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -86.22 153.46 22.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.957 0.408 . . . . 0.0 111.215 170.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -138.35 148.82 44.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.485 0.66 . . . . 0.0 110.874 163.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -121.39 138.76 54.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.841 1.256 . . . . 0.0 111.418 -156.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -138.56 75.45 1.52 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.242 1.817 . . . . 0.0 108.91 -167.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -81.98 134.1 35.35 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.651 -0.656 . . . . 0.0 109.881 166.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -146.91 120.17 8.93 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 125.792 1.637 . . . . 0.0 109.575 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -121.03 162.62 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.787 1.235 . . . . 0.0 109.851 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.49 32.07 8.43 Favored Glycine 0 N--CA 1.464 0.547 0 O-C-N 123.437 0.461 . . . . 0.0 112.33 164.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 pp -137.35 -174.71 3.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.784 1.234 . . . . 0.0 111.258 -168.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 p -138.47 -175.58 4.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.437 167.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.515 HD21 ' CZ ' ' A' ' 10' ' ' TYR . 3.1 mm? -60.13 -33.85 72.72 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.7 m -66.77 -25.53 66.53 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 176.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.25 -31.35 27.03 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.913 0.885 . . . . 0.0 111.819 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -62.8 -40.65 98.0 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.346 -0.846 . . . . 0.0 111.488 168.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.09 -29.69 68.74 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.437 0.695 . . . . 0.0 112.608 175.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -73.47 -48.56 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.412 0.685 . . . . 0.0 110.641 170.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.1 tp -53.21 -52.66 58.19 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.953 0.797 . . . . 0.0 111.249 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.28 -59.01 5.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.338 1.055 . . . . 0.0 111.017 171.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.87 -18.95 55.16 Favored Glycine 0 C--N 1.343 0.956 0 C-N-CA 124.972 1.272 . . . . 0.0 115.473 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -113.16 -15.81 12.69 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.88 -11.49 2.99 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -164.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.08 72.71 0.61 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.526 1.057 . . . . 0.0 112.229 177.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -122.4 99.96 6.69 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.532 1.533 . . . . 0.0 110.414 -170.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 56.17 64.55 1.68 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.628 1.571 . . . . 0.0 110.975 -161.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 tp -67.0 135.04 29.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 C-N-CA 124.659 1.183 . . . . 0.0 111.922 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.6 mm -118.65 -54.54 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 126.938 2.095 . . . . 0.0 109.129 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -135.71 150.56 49.59 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.878 0.871 . . . . 0.0 111.521 174.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tp -147.97 131.7 16.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.065 2.146 . . . . 0.0 108.018 173.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -143.61 111.05 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.552 1.941 . . . . 0.0 107.037 -175.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 tt -125.14 141.47 52.09 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.079 0.951 . . . . 0.0 109.691 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -137.28 140.16 41.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.051 1.34 . . . . 0.0 107.754 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 2.4 tmtt? -67.7 104.84 1.74 Allowed 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 143.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.15 159.82 5.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 123.82 1.772 . . . . 0.0 108.677 166.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.5 tp . . . . . 0 C--O 1.256 1.433 0 CA-C-N 112.389 -2.187 . . . . 0.0 112.105 -162.462 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.474 0.725 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.3 m -65.79 155.65 6.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 122.257 1.027 . . . . 0.0 111.875 175.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -76.03 79.25 2.89 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.02 172.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -61.78 -69.2 0.26 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.956 1.302 . . . . 0.0 111.967 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -135.43 79.47 1.78 Allowed 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 57.87 -28.24 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 129.284 3.034 . . . . 0.0 117.224 -166.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.252 0.8 OUTLIER 53.53 158.0 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 130.767 3.627 . . . . 0.0 116.917 174.606 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 87.9 -80.38 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 130.881 3.672 . . . . 0.0 112.275 177.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.7 m -153.19 174.54 14.13 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.066 1.346 . . . . 0.0 109.161 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -42.6 139.22 1.62 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.271 1.828 . . . . 0.0 114.145 -162.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -97.26 114.59 26.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 126.55 1.94 . . . . 0.0 109.86 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.449 HG11 HD23 ' B' ' 39' ' ' LEU . 55.9 t -107.8 142.43 20.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 C-N-CA 125.003 1.321 . . . . 0.0 109.813 172.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.2 m -138.59 109.99 6.97 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.361 1.464 . . . . 0.0 107.536 174.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 37.1 ttp -131.31 156.76 44.91 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.723 0.409 . . . . 0.0 110.939 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.46 161.14 42.56 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 123.71 1.719 . . . . 0.0 112.005 165.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.61 178.71 8.82 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 127.786 2.434 . . . . 0.0 107.544 169.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -88.8 127.66 35.62 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.85 -0.531 . . . . 0.0 112.168 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.77 -179.32 8.08 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.26 -48.39 0.49 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 130.316 3.446 . . . . 0.0 115.289 166.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -138.44 14.17 2.77 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.655 1.582 . . . . 0.0 112.271 -172.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.92 26.7 70.47 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.515 0.579 . . . . 0.0 112.262 -172.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -131.61 167.23 19.78 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 125.489 1.516 . . . . 0.0 110.07 -173.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -67.75 143.29 55.95 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.985 0.898 . . . . 0.0 111.968 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -141.43 112.74 7.48 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 113.987 -1.46 . . . . 0.0 108.758 -162.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -100.76 155.38 17.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 123.265 1.507 . . . . 0.0 114.056 -157.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -142.78 72.52 1.37 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.994 2.518 . . . . 0.0 107.774 -171.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -78.94 120.08 23.03 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.582 1.153 . . . . 0.0 109.472 169.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -147.03 95.01 2.5 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.986 0.914 . . . . 0.0 111.065 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 168.47 10.23 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 168.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.36 30.1 42.4 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-O 119.914 -0.381 . . . . 0.0 112.753 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -132.6 -172.33 2.88 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.443 1.097 . . . . 0.0 110.39 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.9 p -132.14 -176.89 4.22 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.042 -1.036 . . . . 0.0 112.098 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.0 -33.74 72.41 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 120.563 -1.335 . . . . 0.0 112.757 -167.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 78.3 p -68.46 -26.79 65.68 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 170.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -78.53 -34.24 47.34 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.814 0.846 . . . . 0.0 111.231 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -60.91 -43.69 98.19 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.448 0.699 . . . . 0.0 111.371 168.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -57.88 -36.72 72.76 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 173.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.22 -48.51 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 122.729 0.412 . . . . 0.0 110.537 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.449 HD23 HG11 ' B' ' 12' ' ' VAL . 67.6 tp -57.31 -50.71 72.05 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.724 0.81 . . . . 0.0 112.075 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.4 -47.54 85.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.177 0.991 . . . . 0.0 111.472 174.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.38 -26.53 74.47 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-O 119.299 -0.723 . . . . 0.0 114.766 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -77.33 -17.73 58.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.333 1.053 . . . . 0.0 113.124 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.481 HG22 ' H ' ' B' ' 45' ' ' ASP . 51.9 m -57.0 -50.18 73.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.596 1.558 . . . . 0.0 112.944 -171.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.17 26.41 2.87 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.01 1.724 . . . . 0.0 115.191 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.481 ' H ' HG22 ' B' ' 43' ' ' THR . 21.5 t0 -133.68 173.41 11.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.019 1.727 . . . . 0.0 110.202 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -70.73 113.81 8.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.693 0.759 . . . . 0.0 110.58 168.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.15 138.03 18.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.755 167.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.0 mm -113.88 -48.65 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 124.623 1.169 . . . . 0.0 108.755 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -151.15 138.37 19.3 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.188 0.449 . . . . 0.0 111.286 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -141.84 155.53 45.56 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 122.823 1.297 . . . . 0.0 112.28 165.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.9 ttp-105 -138.84 148.27 43.51 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.647 1.979 . . . . 0.0 109.11 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 tt -145.36 139.44 26.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.594 1.557 . . . . 0.0 109.173 172.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.57 139.25 42.03 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 126.035 1.734 . . . . 0.0 109.28 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.69 155.74 25.55 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.502 1.144 . . . . 0.0 111.564 154.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.3 m -118.09 165.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 113.282 -1.781 . . . . 0.0 110.207 -177.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 C--O 1.248 0.976 0 CA-C-O 116.094 -1.907 . . . . 0.0 111.849 175.031 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 tpt . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 118.883 -0.579 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.9 m -132.21 168.05 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 126.383 1.873 . . . . 0.0 108.054 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -75.88 47.53 0.43 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.085 1.754 . . . . 0.0 113.713 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -65.91 -23.29 66.6 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.961 1.304 . . . . 0.0 113.523 -175.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 7' ' ' VAL . 4.9 t0 -143.79 -169.82 3.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.257 2.223 . . . . 0.0 107.183 169.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.85 40.55 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.42 1.888 . . . . 0.0 112.024 162.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.416 ' H ' ' C ' ' A' ' 5' ' ' ASP . 10.4 p -62.34 173.01 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 C-N-CA 130.535 3.534 . . . . 0.0 111.27 -173.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -78.13 165.81 23.51 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 119.835 -1.79 . . . . 0.0 112.213 170.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t 96.54 175.44 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 129.05 2.94 . . . . 0.0 108.799 -154.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -46.0 125.1 6.01 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.426 1.89 . . . . 0.0 114.196 -154.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -94.07 117.18 29.73 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.427 2.291 . . . . 0.0 107.144 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.3 t -133.29 94.62 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 127.933 2.493 . . . . 0.0 109.28 -167.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.1 m -85.39 141.39 30.03 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.596 0.758 . . . . 0.0 109.23 170.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.5 ttm -143.43 152.29 41.37 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 123.481 0.712 . . . . 0.0 110.744 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -144.2 122.53 12.32 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 126.753 2.021 . . . . 0.0 109.551 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mp -122.59 166.15 15.31 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.861 1.265 . . . . 0.0 109.533 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -108.89 129.41 55.41 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.356 0.598 . . . . 0.0 111.958 -175.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -71.21 160.48 32.76 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.961 1.304 . . . . 0.0 111.617 172.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -60.59 -25.85 66.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.053 0.941 . . . . 0.0 113.329 173.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -74.23 -2.38 24.62 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.322 1.049 . . . . 0.0 112.547 171.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.27 8.78 77.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 120.724 -1.235 . . . . 0.0 114.658 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -103.99 159.36 15.73 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.485 1.514 . . . . 0.0 111.514 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -75.71 151.62 37.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 111.7 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -131.65 143.42 50.29 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 122.117 0.961 . . . . 0.0 110.166 156.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -107.89 137.56 45.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 127.147 2.179 . . . . 0.0 110.582 -162.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -145.02 71.68 1.31 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.959 1.304 . . . . 0.0 108.891 -162.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -92.71 135.62 33.95 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.952 1.301 . . . . 0.0 112.274 -173.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -135.7 146.48 47.78 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 126.013 1.725 . . . . 0.0 109.808 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -140.6 153.83 46.23 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.062 0.945 . . . . 0.0 109.151 171.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.62 22.17 56.58 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 119.58 -0.567 . . . . 0.0 113.216 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.83 -175.64 5.68 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.148 0.975 . . . . 0.0 111.258 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 p -133.37 179.81 5.98 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.313 -0.867 . . . . 0.0 110.279 153.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.19 -31.88 73.14 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.185 -0.947 . . . . 0.0 112.314 -173.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.6 m -66.31 -33.74 76.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.27 1.028 . . . . 0.0 112.218 173.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -78.52 -32.7 48.16 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.081 0.952 . . . . 0.0 110.881 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -62.4 -44.33 96.69 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.168 0.987 . . . . 0.0 112.006 167.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -54.94 -44.97 74.78 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.037 0.835 . . . . 0.0 111.711 171.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.05 -53.45 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.34 173.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.7 tp -55.77 -52.58 63.48 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.386 0.994 . . . . 0.0 112.928 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.9 -34.48 78.06 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.352 1.061 . . . . 0.0 112.448 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.27 -23.09 52.75 Favored Glycine 0 CA--C 1.535 1.33 0 CA-C-O 119.201 -0.777 . . . . 0.0 114.657 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -87.55 -36.73 17.41 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.196 1.398 . . . . 0.0 111.34 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.5 p -73.0 -74.19 0.18 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.736 0.814 . . . . 0.0 111.383 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.33 -1.13 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 129.406 3.082 . . . . 0.0 117.335 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -81.82 68.72 8.3 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.86 2.464 . . . . 0.0 112.42 -166.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 61.9 60.5 1.54 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.789 1.236 . . . . 0.0 110.586 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.64 121.12 10.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 125.958 1.703 . . . . 0.0 110.962 175.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 mm -96.73 -69.88 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 105.591 -2.004 . . . . 0.0 105.591 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -135.23 158.03 45.41 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 pp -141.35 156.57 45.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.405 167.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.35 103.6 4.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.282 1.433 . . . . 0.0 108.755 -177.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 tt -109.9 136.42 49.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.799 1.64 . . . . 0.0 110.348 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.54 138.97 46.33 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 126.626 1.97 . . . . 0.0 109.4 171.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 149.38 49.95 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.686 155.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.3 t -115.1 152.95 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.1 tp . . . . . 0 C--O 1.249 1.044 0 C-N-CA 129.913 3.285 . . . . 0.0 112.427 -178.728 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.77 -19.44 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 124.064 0.853 . . . . 0.0 111.919 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -55.12 123.45 13.7 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 126.235 1.814 . . . . 0.0 111.21 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -61.98 -50.07 73.55 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.31 1.444 . . . . 0.0 113.573 -168.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -137.05 -46.35 0.58 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.825 1.25 . . . . 0.0 112.949 -170.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.535 ' CZ ' ' HE2' ' B' ' 29' ' ' LYS . 56.6 m-85 -72.58 66.84 0.73 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 122.318 1.056 . . . . 0.0 109.597 163.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -77.54 68.59 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 125.885 1.674 . . . . 0.0 111.703 -169.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 42.21 -130.63 0.56 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.396 1.079 . . . . 0.0 108.988 -161.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m 69.95 -165.24 0.17 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.611 1.165 . . . . 0.0 111.325 168.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -94.89 146.16 24.41 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.577 1.151 . . . . 0.0 109.512 156.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -93.87 138.38 32.08 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.125 1.77 . . . . 0.0 108.081 157.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.9 112.48 31.96 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 126.302 1.841 . . . . 0.0 108.19 171.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 21.5 m -121.63 95.18 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.473 1.509 . . . . 0.0 107.546 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 38.9 ttp -122.19 156.87 32.83 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.552 1.141 . . . . 0.0 111.557 -166.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 tt -149.2 127.37 12.06 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.995 0.918 . . . . 0.0 111.461 -170.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -122.81 175.64 6.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.926 2.09 . . . . 0.0 110.937 -172.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -133.45 117.71 17.52 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 123.419 0.688 . . . . 0.0 110.169 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -71.65 168.46 17.65 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.416 0.686 . . . . 0.0 112.202 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.04 -26.98 68.57 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.881 1.672 . . . . 0.0 113.497 -172.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -80.36 -0.0 34.98 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.138 1.375 . . . . 0.0 113.398 171.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.8 2.38 72.24 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.762 1.649 . . . . 0.0 113.957 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.56 125.67 33.95 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.572 1.686 . . . . 0.0 110.987 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -71.41 142.17 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.076 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -147.99 162.56 39.09 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.692 0.797 . . . . 0.0 109.977 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.4 159.13 35.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 122.374 1.083 . . . . 0.0 113.637 -171.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -136.47 89.89 2.51 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 128.812 2.845 . . . . 0.0 107.189 -166.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -106.76 104.46 14.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.919 2.088 . . . . 0.0 109.232 -168.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -136.34 85.5 2.15 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 125.566 1.546 . . . . 0.0 111.802 -162.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.535 ' HE2' ' CZ ' ' B' ' 6' ' ' PHE . 94.1 mttt -69.22 165.12 21.18 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.009 0.924 . . . . 0.0 110.667 163.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.92 17.7 80.19 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.059 -0.856 . . . . 0.0 114.34 171.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -100.36 178.99 4.59 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.576 1.15 . . . . 0.0 111.973 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.5 p -136.46 177.62 7.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.844 1.258 . . . . 0.0 111.288 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.73 -31.76 71.05 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.889 0.876 . . . . 0.0 113.286 -174.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.2 p -77.88 -30.95 51.04 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.819 1.247 . . . . 0.0 112.421 174.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -73.45 -32.2 64.23 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.265 -0.897 . . . . 0.0 111.442 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -59.44 -44.09 92.99 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.526 0.73 . . . . 0.0 111.984 169.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -58.98 -36.26 74.58 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.145 0.978 . . . . 0.0 111.783 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -63.28 -52.78 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.278 0.631 . . . . 0.0 110.437 172.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.16 -53.19 61.06 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.824 0.85 . . . . 0.0 112.142 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -66.33 -33.98 76.94 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.694 0.798 . . . . 0.0 112.398 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.8 -26.36 56.33 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.628 -1.095 . . . . 0.0 114.463 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -87.65 -32.16 19.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.306 1.553 . . . . 0.0 111.705 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.1 p -72.67 131.91 43.01 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.914 -0.492 . . . . 0.0 111.284 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.81 -5.33 11.55 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.496 1.119 . . . . 0.0 113.23 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -76.64 44.06 0.35 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.428 2.291 . . . . 0.0 112.495 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 47.98 -126.46 1.82 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 127.435 2.294 . . . . 0.0 111.83 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.8 tp -168.83 135.07 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.362 1.865 . . . . 0.0 109.398 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.6 mm -123.76 -55.68 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 125.169 1.388 . . . . 0.0 108.799 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -133.39 151.55 51.84 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.566 1.146 . . . . 0.0 111.191 173.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 tp -151.51 122.68 7.71 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 125.109 1.364 . . . . 0.0 109.373 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -111.58 135.36 52.26 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 124.052 0.941 . . . . 0.0 108.761 158.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -128.26 133.14 48.74 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 162.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -152.18 109.49 3.57 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.999 0.52 . . . . 0.0 110.852 -162.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -69.24 104.78 2.31 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.765 0.793 . . . . 0.0 109.795 174.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -65.48 152.73 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 126.479 1.912 . . . . 0.0 109.893 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--O 1.249 1.051 0 C-N-CA 129.327 3.051 . . . . 0.0 110.971 -167.938 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 tpt . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 m -131.04 175.12 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 126.084 1.753 . . . . 0.0 108.979 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.07 53.19 0.07 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.874 2.07 . . . . 0.0 113.334 173.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.72 -34.15 77.24 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.652 1.181 . . . . 0.0 111.301 167.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -129.6 -158.34 0.88 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.459 1.903 . . . . 0.0 108.564 170.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -65.44 -0.2 1.81 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -174.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER 54.6 166.61 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.596 1 C-N-CA 131.779 4.032 . . . . 0.0 116.334 179.473 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.1 t70 75.21 -79.2 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 127.749 2.42 . . . . 0.0 113.537 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -152.53 175.77 12.4 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.449 1.5 . . . . 0.0 111.029 -165.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -44.18 132.89 5.53 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.143 1.777 . . . . 0.0 114.084 -169.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -82.77 140.11 33.19 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.556 1.142 . . . . 0.0 108.819 160.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -135.28 89.43 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 125.772 1.629 . . . . 0.0 107.706 167.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.4 m -85.31 96.77 9.63 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 173.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.2 ttm -98.23 164.13 12.44 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.972 0.909 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -149.4 125.87 10.92 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.591 1.556 . . . . 0.0 109.503 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.9 mt -130.91 177.45 7.42 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 125.225 1.41 . . . . 0.0 110.624 -173.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -130.73 133.88 46.42 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.714 0.805 . . . . 0.0 110.896 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.68 162.55 27.63 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.129 1.372 . . . . 0.0 111.77 174.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.76 -31.24 66.31 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.917 1.287 . . . . 0.0 113.429 175.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -70.99 -10.55 59.93 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.574 0.749 . . . . 0.0 112.78 173.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.03 0.38 66.02 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 125.413 1.482 . . . . 0.0 113.426 -176.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -70.95 115.82 10.53 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.941 1.296 . . . . 0.0 110.43 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -80.13 137.58 36.75 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 122.962 0.505 . . . . 0.0 110.663 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -143.05 146.88 34.23 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.765 0.793 . . . . 0.0 111.93 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -83.57 151.03 25.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.904 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -137.05 79.46 1.75 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.04 2.536 . . . . 0.0 107.82 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -73.4 120.64 19.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.35 1.06 . . . . 0.0 110.406 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -140.0 91.97 2.51 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 123.872 0.869 . . . . 0.0 110.358 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -112.66 171.05 7.76 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.613 1.165 . . . . 0.0 112.869 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.37 38.34 94.86 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.943 0.782 . . . . 0.0 112.423 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -138.35 -161.08 1.13 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.682 1.193 . . . . 0.0 110.809 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -137.81 178.63 6.97 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 120.72 -1.238 . . . . 0.0 113.906 -173.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -36.0 81.7 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.385 -0.822 . . . . 0.0 112.638 -176.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.6 m -64.54 -29.16 70.19 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.424 -0.798 . . . . 0.0 112.292 172.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -81.6 -33.92 31.26 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.508 1.123 . . . . 0.0 111.43 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -57.12 -47.36 81.29 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.197 0.999 . . . . 0.0 111.567 165.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.17 -33.63 69.44 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.755 0.822 . . . . 0.0 112.722 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.49 -54.67 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.603 0.638 . . . . 0.0 110.642 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.6 tp -54.87 -50.93 67.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.957 0.799 . . . . 0.0 111.761 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.76 -51.13 70.67 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.548 1.139 . . . . 0.0 112.007 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.25 -20.48 76.69 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 119.158 -0.801 . . . . 0.0 114.551 -175.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -113.5 -21.9 10.6 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.39 1.095 . . . . 0.0 113.917 -170.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 m -128.24 -26.95 2.75 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -165.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.4 55.68 1.02 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -65.81 -41.46 91.86 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.508 1.123 . . . . 0.0 112.787 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -131.08 80.26 1.93 Allowed 'General case' 0 C--O 1.232 0.135 0 C-N-CA 126.226 1.81 . . . . 0.0 108.544 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.6 tp -71.36 118.86 16.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.836 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.3 mm -106.86 -50.26 8.02 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 C-N-CA 126.947 2.099 . . . . 0.0 107.912 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -152.53 154.41 35.38 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.249 0.477 . . . . 0.0 110.982 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.41 148.3 34.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.322 0.582 . . . . 0.0 111.168 155.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.97 92.99 3.21 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 126.562 1.945 . . . . 0.0 107.729 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.3 tt -93.05 137.44 32.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.282 1.033 . . . . 0.0 109.623 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -145.36 134.29 22.51 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.951 1.3 . . . . 0.0 109.503 174.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 144.02 14.56 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.104 0.478 . . . . 0.0 111.288 162.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t -142.02 154.12 18.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 171.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.3 tp . . . . . 0 C--O 1.25 1.13 0 C-N-CA 128.383 2.673 . . . . 0.0 109.807 171.867 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 86.2 t 53.5 -67.0 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 128.919 2.888 . . . . 0.0 114.024 -174.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -134.07 89.51 2.58 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.352 1.861 . . . . 0.0 107.755 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 55.9 t30 49.24 -94.77 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.589 1.956 . . . . 0.0 113.137 -173.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -106.77 3.56 26.66 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 128.548 2.739 . . . . 0.0 112.826 -175.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.47 ' CE2' ' HE3' ' B' ' 29' ' ' LYS . 8.4 t80 50.62 55.86 8.86 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.997 2.119 . . . . 0.0 111.614 -175.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -39.65 147.47 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 130.505 3.522 . . . . 0.0 116.524 -164.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -72.49 166.95 21.62 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t 76.88 165.77 0.25 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 128.98 2.912 . . . . 0.0 112.23 -163.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -49.52 142.3 8.21 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 126.007 1.723 . . . . 0.0 114.108 -158.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -99.64 120.47 39.73 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.474 1.51 . . . . 0.0 108.858 170.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.412 HG22 HD12 ' B' ' 52' ' ' LEU . 70.9 t -108.5 114.88 47.86 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 125.296 1.438 . . . . 0.0 108.052 164.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 97.4 m -114.49 93.21 4.24 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp -108.98 161.48 15.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.213 1.005 . . . . 0.0 110.929 -174.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tt -150.35 124.0 9.14 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.046 0.939 . . . . 0.0 109.872 -173.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -117.33 166.3 12.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.444 1.098 . . . . 0.0 110.855 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -113.57 120.25 40.29 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.507 1.123 . . . . 0.0 109.971 162.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.85 162.49 23.97 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.453 1.501 . . . . 0.0 112.803 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.12 -23.35 65.45 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.097 1.359 . . . . 0.0 113.92 170.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -76.14 -2.73 32.46 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.369 0.986 . . . . 0.0 113.153 167.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.49 8.05 71.35 Favored Glycine 0 C--N 1.341 0.858 0 C-N-CA 124.919 1.247 . . . . 0.0 114.626 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -106.28 148.28 28.17 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 118.146 0.973 . . . . 0.0 112.436 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -90.4 136.55 32.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.908 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -140.13 143.06 36.01 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 122.096 0.95 . . . . 0.0 112.036 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -81.24 148.8 29.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.041 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -133.23 74.85 1.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.72 2.408 . . . . 0.0 107.49 170.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -77.87 125.19 28.97 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.255 1.422 . . . . 0.0 110.268 169.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -146.53 101.07 3.43 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 127.281 2.232 . . . . 0.0 110.405 -178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.47 ' HE3' ' CE2' ' B' ' 6' ' ' PHE . 51.5 tttm -107.67 153.5 22.83 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.692 0.797 . . . . 0.0 111.194 175.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.1 48.32 8.45 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 123.724 0.678 . . . . 0.0 112.702 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 pp -132.5 -165.87 1.66 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.717 1.207 . . . . 0.0 110.661 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.3 p -141.26 -178.28 5.52 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.465 -0.772 . . . . 0.0 111.465 172.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.78 -32.44 73.73 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -163.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 37.1 p -64.39 -29.6 70.66 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 170.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.25 -31.53 33.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.207 1.003 . . . . 0.0 111.279 175.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.53 -45.06 95.22 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.323 -0.86 . . . . 0.0 110.969 165.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -61.85 -29.03 69.91 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.77 -57.95 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 118.715 0.689 . . . . 0.0 109.833 165.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 19.9 tp -53.83 -48.38 69.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.023 0.929 . . . . 0.0 112.647 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -60.58 -31.91 71.04 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.111 1.365 . . . . 0.0 113.19 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.83 -24.91 16.17 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 118.628 0.649 . . . . 0.0 114.262 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -91.53 -31.9 15.76 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.53 1.132 . . . . 0.0 112.208 -172.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.0 p -64.24 -42.63 96.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.81 -9.21 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 128.512 2.725 . . . . 0.0 117.32 171.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.14 166.03 23.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.384 1.087 . . . . 0.0 112.233 166.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.36 120.48 16.08 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.289 1.036 . . . . 0.0 111.894 -171.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.82 129.61 27.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 124.534 1.134 . . . . 0.0 111.085 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mm -115.11 -56.85 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 127.406 2.282 . . . . 0.0 107.451 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -136.23 155.95 49.37 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.444 0.698 . . . . 0.0 111.48 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.9 tp -150.58 110.31 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.855 1.262 . . . . 0.0 108.786 172.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.72 111.5 23.72 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 124.553 1.141 . . . . 0.0 109.006 173.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.412 HD12 HG22 ' B' ' 12' ' ' VAL . 7.1 tt -109.26 139.63 43.93 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 169.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -148.78 119.81 7.69 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 123.944 0.898 . . . . 0.0 109.21 -174.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 125.75 27.07 Favored 'General case' 0 C--N 1.345 0.404 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 162.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 31.2 m -86.72 156.83 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.499 -155.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--O 1.249 1.039 0 C-N-CA 127.12 2.168 . . . . 0.0 111.905 170.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.474 0.739 0 CA-C-O 118.652 -0.689 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.47 -38.49 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 123.726 0.81 . . . . 0.0 112.149 -169.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -65.99 110.56 2.96 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 122.281 1.038 . . . . 0.0 111.283 172.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -70.33 151.85 44.8 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.821 168.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -79.73 33.24 0.26 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.419 1.888 . . . . 0.0 112.21 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 50.4 35.16 10.36 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.058 1.743 . . . . 0.0 112.826 -164.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -66.21 91.68 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 125.495 1.518 . . . . 0.0 113.604 -162.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.444 ' H ' HG21 ' A' ' 55' ' ' VAL . 19.1 t70 -159.14 -80.25 0.06 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.257 1.423 . . . . 0.0 108.909 171.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 t -146.75 176.96 9.47 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.1 1.76 . . . . 0.0 109.323 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -47.42 147.57 1.63 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.617 1.567 . . . . 0.0 114.263 -161.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.72 117.49 30.4 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 127.474 2.31 . . . . 0.0 109.286 -176.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.93 96.08 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.729 1.211 . . . . 0.0 110.563 -174.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -91.06 110.6 21.87 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.302 1.441 . . . . 0.0 109.431 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 tpt -121.57 147.18 46.16 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.358 1.463 . . . . 0.0 110.556 -163.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 tp -144.16 118.94 9.86 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 124.839 1.256 . . . . 0.0 111.488 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.34 171.13 7.7 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.487 172.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -123.71 126.85 47.27 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.512 1.125 . . . . 0.0 110.708 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -76.46 168.35 20.22 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.967 1.307 . . . . 0.0 110.512 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.72 -36.39 74.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.743 2.017 . . . . 0.0 113.348 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -81.32 -2.44 49.12 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.435 -0.791 . . . . 0.0 112.986 175.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.23 3.42 56.66 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 125.372 1.463 . . . . 0.0 113.894 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -70.47 117.41 11.97 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 118.643 1.221 . . . . 0.0 111.101 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -85.88 125.6 33.44 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 123.089 0.556 . . . . 0.0 110.47 176.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -127.06 113.64 16.71 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.854 0.835 . . . . 0.0 112.38 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -74.05 147.33 42.96 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.341 172.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -146.9 149.44 33.25 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.446 1.498 . . . . 0.0 110.35 164.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -118.56 108.99 15.65 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 124.681 1.192 . . . . 0.0 108.223 -170.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -114.46 81.51 1.56 Allowed 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 123.598 0.759 . . . . 0.0 108.997 -170.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -109.63 168.77 9.16 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.323 0.649 . . . . 0.0 112.746 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.28 37.98 63.01 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 123.703 0.668 . . . . 0.0 112.386 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 pp -135.55 -170.56 2.63 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.711 1.205 . . . . 0.0 110.233 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -133.3 -179.82 5.74 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 120.644 -1.285 . . . . 0.0 112.711 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.55 -32.39 71.45 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -172.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.5 m -69.14 -27.25 65.39 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -84.46 -30.67 25.06 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.681 1.192 . . . . 0.0 111.576 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -61.32 -42.29 98.42 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.523 -0.736 . . . . 0.0 111.451 165.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -60.95 -24.3 65.96 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.89 -49.27 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 118.638 0.654 . . . . 0.0 110.736 168.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.9 tp -56.15 -50.92 69.77 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.015 0.825 . . . . 0.0 111.463 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -64.62 -33.84 76.88 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.51 -23.02 55.16 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 115.049 0.78 . . . . 0.0 115.049 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -114.81 -31.56 6.09 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.511 1.155 . . . . 0.0 113.048 -172.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.1 m -127.22 -5.62 6.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.503 0.721 . . . . 0.0 112.382 -154.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.45 25.48 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.97 2.108 . . . . 0.0 115.096 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -62.96 99.77 0.18 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.166 2.186 . . . . 0.0 111.186 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 51.67 59.93 4.22 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.813 1.645 . . . . 0.0 113.267 -170.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.86 132.68 28.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.618 175.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.9 mm -115.81 -48.94 4.64 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 C-N-CA 127.063 2.145 . . . . 0.0 109.71 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -138.38 146.3 42.08 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.644 0.656 . . . . 0.0 110.722 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tt -151.25 103.06 2.98 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.186 1.394 . . . . 0.0 107.827 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -98.04 126.35 43.42 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.302 1.041 . . . . 0.0 108.905 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -124.85 133.44 53.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 170.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.43 134.77 46.55 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 125.086 1.355 . . . . 0.0 108.367 176.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 136.36 54.95 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.633 153.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.444 HG21 ' H ' ' A' ' 8' ' ' ASP . 34.1 m -89.09 139.5 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.043 -170.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 tp . . . . . 0 C--O 1.252 1.217 0 C-N-CA 127.548 2.339 . . . . 0.0 112.92 -167.668 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.506 ' H1 ' ' C ' ' B' ' 56' ' ' LEU . 13.3 tpt . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 p -88.4 93.64 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 122.362 1.077 . . . . 0.0 109.251 170.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -75.67 28.8 0.11 Allowed 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -161.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -135.95 -3.74 2.24 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 126.751 2.02 . . . . 0.0 113.393 172.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -140.24 -36.91 0.48 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.549 0.739 . . . . 0.0 111.877 -178.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -135.71 72.33 1.44 Allowed 'General case' 0 C--O 1.236 0.361 0 C-N-CA 125.499 1.52 . . . . 0.0 108.868 168.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -76.54 149.33 6.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.746 169.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.35 140.84 43.97 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 122.392 1.091 . . . . 0.0 111.127 173.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.6 m 141.79 -177.46 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.473 2.709 . . . . 0.0 108.738 -147.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -93.2 161.79 14.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.759 1.266 . . . . 0.0 110.829 156.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -108.62 142.1 39.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 127.186 2.194 . . . . 0.0 107.446 163.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -131.4 91.82 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 124.889 1.276 . . . . 0.0 108.167 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 6.8 m -80.33 141.33 35.54 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 164.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 43.8 ttm -149.51 155.1 39.81 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.795 0.725 . . . . 0.0 111.698 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -145.61 119.82 9.53 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.908 0.883 . . . . 0.0 110.439 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -117.69 175.98 5.39 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 125.848 1.659 . . . . 0.0 110.86 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -127.48 131.42 50.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.618 0.767 . . . . 0.0 110.565 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -75.96 162.35 28.16 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.563 1.145 . . . . 0.0 111.629 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -61.2 -22.6 64.91 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.04 -7.28 54.31 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.919 0.782 . . . . 0.0 112.645 171.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.39 5.02 65.69 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.706 1.145 . . . . 0.0 114.041 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -95.13 145.59 24.9 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 118.108 0.954 . . . . 0.0 111.005 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -99.73 140.49 33.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.492 -171.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -138.77 154.51 48.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 122.227 1.013 . . . . 0.0 111.244 -178.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -120.96 145.85 47.29 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.161 -163.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -137.72 155.9 48.59 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.244 1.418 . . . . 0.0 110.529 174.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -141.76 138.56 32.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.131 0.972 . . . . 0.0 109.654 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -143.82 83.44 1.75 Allowed 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 124.417 1.087 . . . . 0.0 109.64 -171.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.62 163.26 24.74 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.566 0.747 . . . . 0.0 110.725 172.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.0 29.99 52.64 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-O 119.615 -0.547 . . . . 0.0 113.744 163.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.57 -168.94 2.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.516 1.126 . . . . 0.0 111.046 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 17.7 p -131.54 178.77 6.48 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.284 -0.885 . . . . 0.0 113.341 -167.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt -58.0 -39.34 78.01 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.45 0.7 . . . . 0.0 112.744 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -68.22 -19.29 64.74 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.52 -32.55 15.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.681 1.192 . . . . 0.0 111.611 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -57.28 -44.55 84.11 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.26 0.624 . . . . 0.0 111.252 164.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.19 -25.62 67.16 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.112 0.965 . . . . 0.0 113.351 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.19 -57.21 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.812 169.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.09 -48.87 80.04 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.035 0.834 . . . . 0.0 111.974 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -63.85 -38.62 91.78 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.01 -19.03 75.79 Favored Glycine 0 C--N 1.34 0.762 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 -177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -121.3 -28.51 4.66 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 5.1 m -129.48 -8.54 4.65 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.809 0.443 . . . . 0.0 111.66 -155.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.74 62.0 0.17 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.254 1.422 . . . . 0.0 113.625 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.85 86.51 7.36 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.214 2.206 . . . . 0.0 110.912 -168.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 55.43 75.26 0.33 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.608 1.563 . . . . 0.0 110.826 -164.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.83 129.29 35.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.144 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 40.9 mm -113.49 -43.74 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 128.421 2.688 . . . . 0.0 109.316 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -140.97 154.31 45.99 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.956 0.902 . . . . 0.0 110.851 168.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 pp -145.85 159.02 43.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.97 0.89 . . . . 0.0 110.758 152.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -140.51 107.85 5.53 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.726 1.211 . . . . 0.0 109.033 173.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 24.2 tp -96.44 121.52 38.34 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 124.827 1.251 . . . . 0.0 108.068 169.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -144.18 110.72 5.58 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -166.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -62.67 114.42 3.58 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-O 121.69 0.757 . . . . 0.0 111.628 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 t -72.52 153.81 7.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 124.788 1.235 . . . . 0.0 110.597 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.506 ' C ' ' H1 ' ' B' ' 1' ' ' MET . 28.4 tp . . . . . 0 C--O 1.254 1.301 0 C-N-CA 127.978 2.511 . . . . 0.0 110.996 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.497 -1.069 0 CA-C-O 118.36 -0.828 . . . . 0.0 111.753 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.58 133.46 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 O-C-N 124.883 1.365 . . . . 0.0 111.859 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -97.65 76.78 2.52 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.447 1.099 . . . . 0.0 109.876 -175.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -124.27 -44.95 1.99 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 123.074 0.55 . . . . 0.0 112.067 -170.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -120.2 5.4 10.77 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -164.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 48.95 81.3 0.05 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 122.807 1.289 . . . . 0.0 110.339 -154.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -61.01 166.78 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 113.786 -1.552 . . . . 0.0 111.15 172.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -67.73 160.32 28.35 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.959 0.885 . . . . 0.0 112.511 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m 69.7 162.03 0.22 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 127.997 2.519 . . . . 0.0 113.5 -166.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -55.7 153.04 8.59 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.6 1.56 . . . . 0.0 113.781 -160.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -105.67 136.19 45.72 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 125.585 1.554 . . . . 0.0 109.332 170.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -127.42 140.95 47.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 126.196 1.799 . . . . 0.0 107.698 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.9 m -137.94 124.11 20.4 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.2 ttm -140.87 145.57 36.35 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.724 0.693 . . . . 0.0 112.811 -166.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.7 tp -123.03 122.34 38.27 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 127.025 2.13 . . . . 0.0 109.812 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -129.84 169.62 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.128 1.771 . . . . 0.0 109.402 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -135.44 111.89 9.88 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.633 0.73 . . . . 0.0 111.421 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.15 164.02 1.4 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.042 1.737 . . . . 0.0 112.249 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -59.74 -30.07 68.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.45 1.1 . . . . 0.0 112.674 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -74.5 -2.74 27.02 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.14 0.976 . . . . 0.0 112.899 172.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.69 6.57 85.37 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.791 1.186 . . . . 0.0 113.916 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -83.24 119.09 24.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.654 1.182 . . . . 0.0 110.409 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -74.48 138.55 43.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.767 0.318 . . . . 0.0 111.403 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -141.25 139.47 33.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 122.121 0.962 . . . . 0.0 111.62 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -122.04 129.74 52.68 Favored 'General case' 0 C--O 1.245 0.838 0 C-N-CA 126.238 1.815 . . . . 0.0 109.605 -170.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -144.6 149.84 36.45 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 124.732 1.27 . . . . 0.0 112.788 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -94.35 141.8 28.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.739 1.615 . . . . 0.0 109.628 167.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -145.72 92.6 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.641 1.576 . . . . 0.0 108.745 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.37 172.16 8.24 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.378 0.671 . . . . 0.0 112.107 -175.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.53 35.53 51.51 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 115.149 -0.932 . . . . 0.0 113.071 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -140.4 -166.96 2.23 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 125.157 1.383 . . . . 0.0 110.81 -171.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.1 p -134.78 179.92 6.0 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 120.954 -1.091 . . . . 0.0 113.632 -172.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD22 ' H ' ' A' ' 33' ' ' LEU . 2.2 mm? -66.09 -26.34 67.43 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -175.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.4 m -76.16 -28.59 57.42 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 124.13 0.972 . . . . 0.0 112.8 172.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -78.41 -29.33 47.14 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.695 0.798 . . . . 0.0 111.449 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.72 -45.14 93.07 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 118.824 -0.608 . . . . 0.0 111.342 164.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.44 -28.26 69.15 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 119.16 0.891 . . . . 0.0 113.067 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.5 t -67.5 -54.52 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 118.404 0.547 . . . . 0.0 110.319 169.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.1 tp -59.86 -42.71 94.27 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.88 0.764 . . . . 0.0 112.405 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -66.88 -47.75 70.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.357 1.463 . . . . 0.0 112.647 175.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.78 -33.53 9.04 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -168.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -81.4 -33.94 31.92 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.352 1.076 . . . . 0.0 112.656 -175.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 m -78.48 -26.74 46.14 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -160.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.02 2.68 0.11 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.312 2.645 . . . . 0.0 118.007 170.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -86.02 59.06 5.41 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.948 1.299 . . . . 0.0 111.696 -176.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 71.89 -28.98 0.19 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 129.866 3.266 . . . . 0.0 117.7 161.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm 58.45 110.76 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.257 1.823 . . . . 0.0 112.661 -172.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.8 mm -114.19 -54.24 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 113.86 -1.518 . . . . 0.0 108.385 -173.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -143.5 155.95 44.48 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.895 0.878 . . . . 0.0 110.043 168.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 pp -151.67 162.88 40.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.926 0.87 . . . . 0.0 111.578 162.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 ttp-105 -137.56 151.67 48.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 127.197 2.199 . . . . 0.0 109.33 171.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 tt -145.99 144.64 30.23 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.668 1.587 . . . . 0.0 108.983 172.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.71 134.28 30.09 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 125.736 1.614 . . . . 0.0 109.026 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 140.21 58.26 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.197 151.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.7 m -96.16 143.47 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.385 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.7 tp . . . . . 0 C--O 1.252 1.207 0 C-N-CA 127.131 2.172 . . . . 0.0 112.96 -167.79 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 CA--C 1.487 -1.447 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 p -136.52 -28.99 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 O-C-N 126.192 2.183 . . . . 0.0 113.667 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -133.84 143.77 48.54 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 123.769 0.828 . . . . 0.0 108.886 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -66.65 -64.21 0.9 Allowed 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 124.387 1.054 . . . . 0.0 110.911 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -148.16 39.88 0.93 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 122.721 1.248 . . . . 0.0 109.751 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . 0.265 28.9 p90 42.12 44.11 3.03 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.767 2.027 . . . . 0.0 114.083 -166.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.53 82.95 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 125.286 1.434 . . . . 0.0 109.894 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -146.54 -80.18 0.15 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.519 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -128.08 161.44 29.2 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.625 1.57 . . . . 0.0 109.66 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -51.73 145.34 9.55 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.529 1.131 . . . . 0.0 113.454 -155.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -94.31 135.98 35.11 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.415 1.886 . . . . 0.0 108.279 166.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.76 92.54 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 126.068 1.747 . . . . 0.0 108.114 172.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 61.8 m -91.11 117.17 29.39 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 124.927 1.291 . . . . 0.0 108.351 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 57.8 ttm -134.67 149.09 50.48 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 121.644 -0.66 . . . . 0.0 111.883 -171.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -128.28 110.95 12.87 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.631 1.572 . . . . 0.0 110.129 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.92 170.8 7.73 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 125.568 1.547 . . . . 0.0 110.599 173.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -128.0 119.65 25.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.828 0.851 . . . . 0.0 110.279 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.02 146.77 54.3 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 168.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.66 -8.83 45.87 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -175.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.9 -0.37 27.22 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.939 0.895 . . . . 0.0 112.944 165.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.07 8.27 59.08 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 125.874 1.702 . . . . 0.0 113.959 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -93.91 106.72 18.68 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.105 0.962 . . . . 0.0 110.074 -170.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -76.1 128.4 34.91 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.12 0.568 . . . . 0.0 110.94 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -130.92 122.53 27.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.969 0.89 . . . . 0.0 111.296 -177.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -76.67 147.76 37.26 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.987 170.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -140.92 150.63 43.4 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.62 1.168 . . . . 0.0 109.959 165.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -126.83 89.51 3.0 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.891 1.677 . . . . 0.0 108.638 -172.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -101.72 84.36 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -171.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.91 152.57 20.76 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 123.9 0.88 . . . . 0.0 112.541 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.03 23.59 34.65 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 124.056 0.836 . . . . 0.0 113.746 -174.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 mt -101.68 -174.56 2.62 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.423 1.489 . . . . 0.0 112.046 -173.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.0 p -133.63 176.16 8.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.365 -0.834 . . . . 0.0 110.042 166.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.08 -32.52 72.17 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 74.7 m -70.23 -27.31 64.36 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 174.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -81.14 -32.45 33.71 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.632 1.173 . . . . 0.0 111.226 175.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -58.57 -45.75 88.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.583 166.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.87 -25.21 64.87 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 63.4 t -71.0 -45.96 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 123.505 0.722 . . . . 0.0 111.648 171.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.19 -37.95 88.95 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.449 0.568 . . . . 0.0 111.544 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -67.59 -15.88 63.89 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.86 -35.7 92.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 121.144 -0.973 . . . . 0.0 112.678 165.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -80.13 -15.46 57.05 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 7.7 m -57.05 -20.34 24.18 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.383 1.473 . . . . 0.0 114.781 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.07 -9.24 0.82 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 172.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.48 40.73 1.23 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 72.14 70.36 0.15 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.908 2.083 . . . . 0.0 112.711 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 tt -67.49 151.88 10.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.951 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.3 mm -122.11 -53.69 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 126.008 1.723 . . . . 0.0 109.743 -172.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -139.61 159.46 42.11 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 123.455 0.702 . . . . 0.0 111.976 172.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tp -152.56 140.89 20.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.616 1.567 . . . . 0.0 108.961 169.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 41.9 ttp85 -135.51 127.36 29.36 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.851 2.061 . . . . 0.0 108.619 168.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 tt -128.36 146.37 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 122.959 0.503 . . . . 0.0 110.036 173.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' B' ' 55' ' ' VAL . 5.4 t0 -147.32 131.49 17.37 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.495 1.118 . . . . 0.0 108.369 -173.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.413 ' HB2' ' HE2' ' B' ' 54' ' ' LYS . 1.5 ptmm? -70.13 16.5 0.07 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 170.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.428 ' H ' ' C ' ' B' ' 53' ' ' ASP . 19.0 m 34.51 90.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 131.016 3.726 . . . . 0.0 114.266 -173.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.8 tp . . . . . 0 C--O 1.257 1.47 0 CA-C-N 111.287 -2.688 . . . . 0.0 110.276 -172.805 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 m -140.09 159.97 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 C-N-CA 124.782 1.233 . . . . 0.0 108.092 167.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -59.3 148.78 30.91 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.209 0.604 . . . . 0.0 111.732 174.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -81.81 -58.0 3.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 122.89 0.476 . . . . 0.0 109.956 164.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -152.78 88.66 1.35 Allowed 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.93 1.292 . . . . 0.0 108.487 174.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.42 ' CE2' ' HE2' ' A' ' 29' ' ' LYS . 14.6 t80 63.03 -37.03 0.15 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.231 2.212 . . . . 0.0 114.068 -165.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.3 t -102.02 132.11 48.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 128.415 2.686 . . . . 0.0 110.398 -175.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -159.39 -76.01 0.07 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.769 0.828 . . . . 0.0 110.544 150.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.595 ' H ' ' HA2' ' A' ' 30' ' ' GLY . 70.6 m -117.79 -167.68 1.38 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 129.1 2.96 . . . . 0.0 109.774 -174.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -44.16 115.07 0.77 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.438 1.495 . . . . 0.0 112.104 -169.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -70.94 146.65 49.37 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 161.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -137.89 96.46 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 128.294 2.637 . . . . 0.0 107.89 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -96.47 105.84 17.99 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 127.298 2.239 . . . . 0.0 107.905 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.02 154.81 32.5 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 120.595 1.543 . . . . 0.0 111.44 -178.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tt -147.85 111.29 4.95 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.02 0.928 . . . . 0.0 109.615 -175.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.67 170.84 7.96 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.505 1.122 . . . . 0.0 109.943 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -125.13 122.66 37.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.074 1.35 . . . . 0.0 110.681 172.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.4 162.38 29.52 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.793 1.237 . . . . 0.0 111.963 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -62.95 -21.7 66.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.658 1.583 . . . . 0.0 114.097 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -79.16 0.0 30.05 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 118.933 0.788 . . . . 0.0 112.701 169.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.45 4.13 74.07 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.454 1.502 . . . . 0.0 113.442 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -80.28 112.19 17.38 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.774 1.23 . . . . 0.0 110.869 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -74.07 132.07 41.96 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 170.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -137.51 156.85 47.66 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 122.157 0.979 . . . . 0.0 111.642 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -121.82 133.57 54.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.288 1.435 . . . . 0.0 110.251 -161.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -134.79 75.52 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.617 1.967 . . . . 0.0 108.381 -168.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -95.53 109.82 21.98 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.028 0.918 . . . . 0.0 111.062 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -115.28 143.99 44.41 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.095 2.158 . . . . 0.0 108.336 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HE2' ' CE2' ' A' ' 6' ' ' PHE . 4.2 mptt -130.66 152.77 49.66 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.76 0.424 . . . . 0.0 111.484 -170.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.595 ' HA2' ' H ' ' A' ' 9' ' ' SER . . . 71.38 32.44 65.04 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 118.678 -1.068 . . . . 0.0 114.162 171.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.4 mt -111.7 -151.94 0.49 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.928 1.364 . . . . 0.0 110.24 -169.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.1 p -147.17 175.04 11.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.841 -1.162 . . . . 0.0 112.345 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.76 -34.09 73.93 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 m -65.02 -33.97 77.32 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.759 0.708 . . . . 0.0 111.747 172.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -75.43 -36.19 60.81 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.283 -0.886 . . . . 0.0 111.357 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -59.21 -50.61 73.37 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.382 1.073 . . . . 0.0 111.515 167.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -54.82 -41.28 70.47 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.268 1.427 . . . . 0.0 111.798 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.74 -55.41 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 118.797 -0.62 . . . . 0.0 111.25 170.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.7 tp -61.75 -44.03 97.69 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.782 1.174 . . . . 0.0 113.115 -173.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.82 -32.11 72.39 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.425 1.09 . . . . 0.0 112.079 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.51 -33.44 11.53 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-N 118.824 0.738 . . . . 0.0 114.457 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -89.26 -29.71 19.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.708 1.203 . . . . 0.0 112.255 -170.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -62.17 -43.82 97.97 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 118.923 -0.56 . . . . 0.0 111.814 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.39 -14.56 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.21 2.604 . . . . 0.0 117.627 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.17 158.81 27.76 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 122.36 1.076 . . . . 0.0 111.253 169.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.35 108.45 1.95 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.207 -173.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.99 125.73 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 124.867 1.267 . . . . 0.0 110.843 176.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.3 mm -107.28 -42.91 6.44 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.082 0 C-N-CA 127.445 2.298 . . . . 0.0 108.108 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -143.89 150.63 38.7 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.305 1.042 . . . . 0.0 110.212 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HG ' ' HB3' ' B' ' 52' ' ' LEU . 3.8 pp -146.61 162.4 38.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.793 0.806 . . . . 0.0 110.018 149.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 ttp85 -142.53 124.44 15.2 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 127.625 2.37 . . . . 0.0 108.521 173.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 tt -118.31 144.94 45.46 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.787 1.635 . . . . 0.0 107.921 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -150.35 112.78 4.68 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -172.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -67.03 87.5 0.15 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 122.04 0.924 . . . . 0.0 110.781 170.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t -68.1 151.7 10.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 124.442 1.097 . . . . 0.0 110.558 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.5 tp . . . . . 0 C--O 1.248 0.986 1 C-N-CA 131.883 4.073 . . . . 0.0 114.506 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.1 m -62.01 143.02 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-O 123.427 1.584 . . . . 0.0 111.395 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.83 73.77 10.3 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 112.745 -2.025 . . . . 0.0 110.467 -170.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -62.0 -37.78 86.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.573 0.749 . . . . 0.0 113.009 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -140.32 -93.21 0.16 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.742 1.617 . . . . 0.0 109.17 170.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -114.89 -34.15 5.2 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.113 0.965 . . . . 0.0 112.621 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.25 0.8 OUTLIER 52.66 166.31 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 131.28 3.832 . . . . 0.0 116.736 170.788 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 89.05 -89.29 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 130.776 3.63 . . . . 0.0 113.008 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -168.66 -176.56 2.8 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.832 1.653 . . . . 0.0 108.734 -170.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -35.52 130.22 0.53 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.619 2.367 . . . . 0.0 112.902 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -105.12 103.26 12.77 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 127.232 2.213 . . . . 0.0 109.871 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.568 HG22 HD13 ' B' ' 52' ' ' LEU . 12.4 t -86.26 133.37 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 168.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 37.0 m -129.59 93.33 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 165.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 37.1 ttp -106.25 160.28 15.47 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.536 0.734 . . . . 0.0 111.071 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.3 120.04 8.08 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.611 0.764 . . . . 0.0 110.812 -168.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.42 174.83 5.92 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.406 1.883 . . . . 0.0 110.471 -174.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -132.15 124.68 29.56 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 124.269 1.028 . . . . 0.0 110.113 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.96 165.21 23.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.888 1.275 . . . . 0.0 112.393 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -54.47 -34.78 62.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.776 1.631 . . . . 0.0 112.87 171.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.26 0.22 14.88 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.301 -0.875 . . . . 0.0 113.2 173.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.28 6.05 89.42 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.312 1.434 . . . . 0.0 113.666 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -78.28 122.5 25.8 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.686 -0.89 . . . . 0.0 110.283 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -79.49 130.29 35.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.637 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -132.53 140.86 48.49 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.93 0.871 . . . . 0.0 111.712 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -88.05 152.12 22.26 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.038 1.335 . . . . 0.0 111.727 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -134.36 79.2 1.79 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.395 2.278 . . . . 0.0 108.133 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -73.96 116.72 14.91 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.589 1.556 . . . . 0.0 109.899 169.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -143.77 101.11 3.7 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.113 0.965 . . . . 0.0 110.626 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.67 168.18 9.99 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.504 0.722 . . . . 0.0 112.888 177.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.95 39.37 38.44 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.408 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 pp -135.32 -165.58 1.7 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.986 1.314 . . . . 0.0 109.442 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.0 p -137.81 -176.76 4.53 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.239 -0.913 . . . . 0.0 113.372 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.8 mt -57.74 -41.94 82.91 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -168.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -63.7 -31.7 72.95 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -79.12 -34.75 43.09 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.877 1.271 . . . . 0.0 111.811 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.32 -46.04 91.29 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.596 -0.69 . . . . 0.0 110.74 166.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.24 -30.53 69.48 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.772 0.829 . . . . 0.0 113.089 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 70.7 t -63.54 -52.2 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 118.677 0.672 . . . . 0.0 110.396 170.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 24.4 tp -57.76 -51.19 70.57 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.407 1.083 . . . . 0.0 111.628 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -60.2 -39.26 85.94 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.095 2.158 . . . . 0.0 112.451 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.29 -22.99 64.0 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-O 118.945 -0.92 . . . . 0.0 114.612 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -99.28 -37.86 9.1 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.981 1.39 . . . . 0.0 113.984 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m -78.06 -45.68 22.9 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.295 0.498 . . . . 0.0 111.672 -161.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.56 -1.82 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 128.93 2.892 . . . . 0.0 118.563 161.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -70.46 81.55 0.57 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.339 1.456 . . . . 0.0 113.045 -175.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 60.25 -16.22 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.771 2.828 . . . . 0.0 117.127 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . 0.292 3.2 tp 38.68 99.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 131.372 3.869 . . . . 0.0 113.081 172.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.7 mm -108.26 -47.03 7.6 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 C-N-CA 129.154 2.982 . . . . 0.0 109.073 -160.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -142.4 161.13 38.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.6 0.714 . . . . 0.0 110.975 169.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 tp -154.18 123.38 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.81 1.244 . . . . 0.0 107.939 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -115.22 143.53 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 165.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.568 HD13 HG22 ' B' ' 12' ' ' VAL . 53.7 tp -134.79 143.87 47.33 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 167.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -148.6 111.54 4.85 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.824 1.25 . . . . 0.0 108.025 -171.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -69.44 96.8 0.92 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.411 -0.806 . . . . 0.0 110.885 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.19 151.67 9.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.393 165.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.841 2.057 . . . . 0.0 108.675 -171.62 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.928 0 CA-C-O 118.939 -0.553 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.5 t -77.73 -40.59 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 124.173 0.92 . . . . 0.0 110.451 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -60.29 142.34 54.81 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.431 1.092 . . . . 0.0 111.631 167.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 58.44 20.2 7.22 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.261 1.424 . . . . 0.0 113.163 -174.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -135.24 -70.71 0.48 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.45 0.7 . . . . 0.0 111.645 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -94.08 -26.43 16.75 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.834 0.854 . . . . 0.0 111.8 169.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.3 t -118.66 95.62 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 125.849 1.659 . . . . 0.0 108.616 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -144.95 -68.73 0.3 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.841 0.856 . . . . 0.0 111.601 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m -140.95 -177.4 5.07 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 127.033 2.133 . . . . 0.0 109.13 -172.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -41.53 130.08 3.13 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.221 1.408 . . . . 0.0 113.816 -167.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -109.8 96.21 6.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 127.765 2.426 . . . . 0.0 109.007 -168.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.9 t -95.51 143.0 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.568 1.547 . . . . 0.0 110.307 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.6 m -144.28 118.47 9.51 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 124.143 0.977 . . . . 0.0 108.469 172.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.8 mtt -125.1 161.88 25.82 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.375 0.988 . . . . 0.0 113.035 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tt -141.87 115.61 9.14 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.507 1.523 . . . . 0.0 109.077 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.89 166.75 16.31 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.518 1.127 . . . . 0.0 109.78 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -125.55 118.04 24.89 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.257 1.023 . . . . 0.0 110.182 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.57 159.44 21.77 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.594 1.158 . . . . 0.0 111.924 175.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.93 -18.82 63.58 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.82 -3.14 36.87 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.654 0.782 . . . . 0.0 112.99 168.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.72 6.71 69.75 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 125.766 1.65 . . . . 0.0 113.581 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -85.8 112.43 21.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.481 1.112 . . . . 0.0 110.579 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -74.83 132.92 41.91 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.261 0.625 . . . . 0.0 110.943 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -136.26 154.13 50.99 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.107 0.963 . . . . 0.0 111.63 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -121.93 136.01 54.9 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.438 1.495 . . . . 0.0 110.897 -165.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -136.49 85.35 2.14 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.17 1.388 . . . . 0.0 110.404 -164.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -87.1 125.23 34.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.337 0.655 . . . . 0.0 110.324 172.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -144.61 98.66 3.23 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.36 1.064 . . . . 0.0 111.059 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.89 173.39 6.34 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.648 0.779 . . . . 0.0 112.672 177.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.17 31.07 66.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.59 -0.561 . . . . 0.0 113.342 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 pp -130.42 -163.06 1.27 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.551 1.14 . . . . 0.0 111.013 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.9 p -142.91 -177.39 5.31 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.144 -0.973 . . . . 0.0 112.83 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.64 -32.34 73.79 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -165.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 p -63.77 -31.94 73.27 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.675 1.19 . . . . 0.0 112.707 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.99 -31.23 34.81 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.221 1.008 . . . . 0.0 112.113 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -60.43 -45.68 92.77 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.443 -0.786 . . . . 0.0 110.9 165.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.38 -42.36 70.26 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.229 1.812 . . . . 0.0 112.488 174.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.67 -50.4 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.258 173.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -55.58 31.93 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.657 1.117 . . . . 0.0 110.908 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -59.71 -41.04 89.92 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.154 0.982 . . . . 0.0 112.23 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.9 -30.39 26.3 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-O 119.191 -0.783 . . . . 0.0 114.912 -174.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -82.12 -37.5 26.18 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.986 1.393 . . . . 0.0 111.394 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 p -65.7 -51.4 59.63 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.019 0.527 . . . . 0.0 111.49 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.98 17.57 0.68 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.288 2.235 . . . . 0.0 114.387 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -82.21 170.88 14.92 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.592 1.557 . . . . 0.0 111.975 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.51 100.71 0.52 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.008 0.923 . . . . 0.0 110.188 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 129.07 36.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.059 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -109.83 -45.84 6.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 127.644 2.377 . . . . 0.0 108.19 -176.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -140.46 148.34 41.0 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.537 1.535 . . . . 0.0 110.157 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -143.54 158.46 43.64 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.632 1.206 . . . . 0.0 111.738 149.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -139.82 147.19 40.38 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 127.362 2.265 . . . . 0.0 109.052 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.5 tt -144.67 135.49 24.81 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.832 1.653 . . . . 0.0 108.658 164.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -129.3 141.25 51.15 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.532 1.133 . . . . 0.0 108.726 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -64.06 153.29 37.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.916 0.865 . . . . 0.0 110.762 163.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.0 t -134.03 152.79 34.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 114.166 -1.379 . . . . 0.0 107.53 169.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.9 tp . . . . . 0 C--O 1.253 1.263 0 C-N-CA 128.285 2.634 . . . . 0.0 111.041 -179.802 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.9 ttm . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 117.671 -1.157 . . . . 0.0 112.903 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.7 m -114.31 -9.28 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.936 1.295 . . . . 0.0 114.205 -174.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -70.88 8.62 0.85 Allowed 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -82.03 -16.35 50.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.25 1.82 . . . . 0.0 112.442 166.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -139.78 -50.94 0.5 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.427 1.091 . . . . 0.0 110.888 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -85.82 60.45 6.24 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.669 1.188 . . . . 0.0 109.48 170.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.463 HG22 ' H ' ' B' ' 8' ' ' ASP . 9.8 p -60.85 175.83 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 127.119 2.168 . . . . 0.0 111.858 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.463 ' H ' HG22 ' B' ' 7' ' ' VAL . 7.5 p-10 -57.74 177.01 0.12 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -176.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 49.6 m 75.3 145.66 0.08 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 127.82 2.448 . . . . 0.0 112.221 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -52.17 149.82 5.02 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.934 2.094 . . . . 0.0 114.382 -154.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -117.07 93.81 4.33 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 126.778 2.031 . . . . 0.0 109.609 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.491 HG22 HD13 ' B' ' 52' ' ' LEU . 38.7 t -82.03 130.67 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 166.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 31.3 m -132.54 87.7 2.45 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.878 1.671 . . . . 0.0 107.028 172.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 6.0 mtp -94.43 168.44 10.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.913 0.885 . . . . 0.0 110.651 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.4 149.42 31.72 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.136 0.97 . . . . 0.0 111.218 157.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -134.72 172.29 13.16 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.275 1.83 . . . . 0.0 109.507 -172.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -119.93 141.43 49.64 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.328 0.651 . . . . 0.0 110.492 -175.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.69 171.68 8.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.398 1.079 . . . . 0.0 110.087 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.0 -35.33 76.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.652 1.181 . . . . 0.0 112.811 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -83.35 -2.34 55.52 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.451 1.1 . . . . 0.0 112.958 173.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.31 83.21 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-O 118.122 -1.377 . . . . 0.0 114.762 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -61.22 -24.45 66.36 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.999 1.9 . . . . 0.0 115.565 -166.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 59.09 136.56 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 128.381 2.672 . . . . 0.0 114.152 -167.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -139.93 141.63 36.46 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.644 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -81.01 151.87 28.21 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 122.2 1.0 . . . . 0.0 111.79 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -131.84 74.44 1.59 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 127.363 2.265 . . . . 0.0 107.512 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -78.86 117.86 20.36 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.201 1.8 . . . . 0.0 109.928 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -141.85 93.5 2.56 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 126.225 1.81 . . . . 0.0 109.632 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -120.49 147.21 45.43 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.649 1.18 . . . . 0.0 110.896 -172.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.65 36.62 6.06 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.146 0.879 . . . . 0.0 112.502 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.422 HD11 HG23 ' B' ' 12' ' ' VAL . 0.9 OUTLIER -137.05 -161.85 1.22 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.803 1.241 . . . . 0.0 110.724 -175.637 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.0 p -138.23 -178.28 5.21 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.17 -37.68 88.12 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.2 p -66.54 -25.68 66.78 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.913 -0.492 . . . . 0.0 112.145 173.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -81.17 -34.41 32.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.662 1.185 . . . . 0.0 111.595 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -58.59 -45.32 89.35 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.483 -0.76 . . . . 0.0 111.037 166.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.29 -26.94 65.4 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.33 -51.99 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.85 0.75 . . . . 0.0 110.648 170.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.475 HD23 HG11 ' B' ' 12' ' ' VAL . 62.6 tp -59.55 -46.59 88.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.284 0.634 . . . . 0.0 111.105 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -59.28 -55.49 34.14 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.322 1.049 . . . . 0.0 111.709 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.53 -19.68 76.52 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 118.953 -0.915 . . . . 0.0 114.879 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -96.26 -39.84 9.46 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.662 1.231 . . . . 0.0 112.597 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.1 m -124.21 -23.62 4.5 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -155.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.82 23.32 0.08 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -169.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.24 118.2 4.18 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.385 1.074 . . . . 0.0 110.163 174.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 49.68 58.56 5.3 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.071 1.748 . . . . 0.0 114.309 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 tt -63.48 151.33 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 1.2 mp -110.06 -55.81 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 127.753 2.421 . . . . 0.0 107.473 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -139.21 146.08 40.07 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.566 0.698 . . . . 0.0 112.573 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 tp -139.35 128.06 23.28 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 127.55 2.34 . . . . 0.0 108.408 170.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.21 136.62 52.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.67 1.988 . . . . 0.0 107.093 168.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.491 HD13 HG22 ' B' ' 12' ' ' VAL . 41.1 tp -142.66 127.17 17.87 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 171.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.43 146.08 49.12 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 123.738 0.815 . . . . 0.0 109.242 173.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -62.08 152.26 33.24 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.635 155.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -132.33 134.03 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 121.724 0.773 . . . . 0.0 109.231 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--O 1.248 0.98 0 C-N-CA 128.568 2.747 . . . . 0.0 109.561 -166.647 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptt? . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 118.007 -0.996 . . . . 0.0 109.689 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.9 m -53.29 163.76 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 119.578 1.081 . . . . 0.0 112.572 166.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -69.86 74.51 0.44 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.368 1.467 . . . . 0.0 112.879 -173.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -98.64 -20.56 16.91 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 126.137 1.775 . . . . 0.0 112.079 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -139.82 -168.77 2.57 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.347 1.859 . . . . 0.0 108.23 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -73.59 59.49 0.63 Allowed 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.041 -1.037 . . . . 0.0 111.513 168.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.96 100.25 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 123.969 0.908 . . . . 0.0 112.058 -165.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -156.62 -79.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.03 1.332 . . . . 0.0 109.026 168.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 t -144.15 171.58 14.1 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.783 1.633 . . . . 0.0 108.818 169.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -45.52 139.37 3.84 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.698 1.599 . . . . 0.0 113.561 -156.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -98.68 134.93 40.9 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.07 1.348 . . . . 0.0 109.19 166.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 t -127.49 92.69 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 126.0 1.72 . . . . 0.0 109.373 175.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.5 m -78.73 100.05 6.91 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.5 ttm -124.42 141.11 52.33 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.314 0.646 . . . . 0.0 110.628 -174.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.8 tp -137.64 128.53 27.21 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 127.174 2.19 . . . . 0.0 109.432 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -130.75 175.28 9.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.189 1.396 . . . . 0.0 110.318 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -136.71 119.88 16.66 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.381 0.673 . . . . 0.0 111.159 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -66.02 162.23 19.86 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.014 0.925 . . . . 0.0 112.05 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.19 -21.56 66.61 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -76.5 -8.56 57.42 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 170.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.74 6.49 60.7 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 125.463 1.506 . . . . 0.0 114.004 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -80.89 116.53 20.91 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.888 0.875 . . . . 0.0 110.653 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -78.9 136.79 37.39 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.119 172.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -142.03 144.29 33.56 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.354 0.597 . . . . 0.0 111.079 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -146.2 165.69 28.44 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.305 -174.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.77 161.73 37.02 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.739 158.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -80.43 87.17 5.67 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 125.105 1.362 . . . . 0.0 108.683 161.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.18 91.78 6.77 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -125.42 167.43 14.97 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -164.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.81 34.93 66.01 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.665 -174.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -135.83 -162.97 1.33 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.399 1.08 . . . . 0.0 110.474 -173.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.9 p -138.83 -179.4 5.81 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 120.941 -1.099 . . . . 0.0 113.493 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.7 -34.7 76.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -70.19 -26.91 64.11 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.187 -0.945 . . . . 0.0 113.131 173.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -80.59 -31.38 36.74 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 123.521 0.728 . . . . 0.0 112.347 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -59.23 -47.05 86.77 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.226 0.611 . . . . 0.0 110.972 166.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.89 -30.74 70.35 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.4 t -68.92 -50.45 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.34 168.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.6 tp -54.27 -50.9 66.2 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.36 0.982 . . . . 0.0 112.137 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -61.34 -37.63 83.98 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.33 1.052 . . . . 0.0 112.657 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.6 -26.19 43.61 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -85.92 -41.23 15.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.148 0.979 . . . . 0.0 111.169 -177.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.6 p -69.99 -48.0 59.96 Favored 'General case' 0 C--O 1.221 -0.403 0 O-C-N 123.504 0.502 . . . . 0.0 112.309 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.94 0.7 0.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 118.25 2.685 . . . . 0.0 118.25 172.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -80.88 45.6 0.83 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.513 1.525 . . . . 0.0 112.748 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 65.33 -5.77 0.42 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.35 2.66 . . . . 0.0 117.373 157.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm 62.91 142.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 127.559 2.344 . . . . 0.0 113.373 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.6 mm -119.59 -49.53 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 113.845 -1.525 . . . . 0.0 108.354 168.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -136.02 152.54 51.02 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-O 121.694 0.759 . . . . 0.0 111.628 170.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.8 tp -148.53 131.24 15.97 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.44 1.896 . . . . 0.0 108.126 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttt-85 -135.58 143.03 45.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.651 1.18 . . . . 0.0 107.904 166.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -141.32 147.31 37.93 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.715 0.806 . . . . 0.0 109.476 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -153.09 129.32 10.48 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.322 -172.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.437 ' HE3' HD13 ' B' ' 48' ' ' ILE 0.255 6.5 ptpt -70.96 18.27 0.06 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 173.859 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.2 m 37.11 96.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 130.817 3.647 . . . . 0.0 115.69 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.26 1.616 0 C-N-CA 127.913 2.485 . . . . 0.0 116.225 -162.929 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 CA--C 1.498 -1.038 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 38.6 t 67.34 -58.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.985 0 C-N-CA 127.458 2.303 . . . . 0.0 113.258 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -66.85 109.99 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.936 1.294 . . . . 0.0 110.93 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -78.93 -20.27 49.71 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -89.25 -68.73 0.76 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.492 0.717 . . . . 0.0 110.738 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.518 ' CZ ' ' HE2' ' B' ' 29' ' ' LYS . 87.3 m-85 -76.59 70.96 3.17 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.909 0.861 . . . . 0.0 109.484 163.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -72.77 153.79 7.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 125.372 1.469 . . . . 0.0 111.473 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -63.17 138.85 58.68 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 123.446 1.594 . . . . 0.0 113.144 175.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.7 m 141.07 -172.68 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 128.23 2.612 . . . . 0.0 107.826 -144.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -89.52 172.81 8.71 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 122.718 1.247 . . . . 0.0 109.635 149.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.44 146.22 49.6 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 129.265 3.026 . . . . 0.0 106.845 172.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -133.35 142.23 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 127.109 2.163 . . . . 0.0 109.733 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -138.93 140.36 38.3 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.254 1.422 . . . . 0.0 108.249 167.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.7 tpp -145.8 148.92 33.45 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.647 0.779 . . . . 0.0 109.241 -169.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -141.96 121.95 13.69 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.177 0.991 . . . . 0.0 109.442 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.453 ' CD1' HD13 ' B' ' 47' ' ' ILE . 1.6 mm? -118.75 171.51 8.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.431 1.892 . . . . 0.0 110.622 -173.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -136.82 118.98 15.49 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 124.005 0.922 . . . . 0.0 110.59 172.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.51 160.4 22.35 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.709 0.804 . . . . 0.0 111.601 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.24 -25.83 65.96 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -76.74 -0.36 23.44 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.527 0.731 . . . . 0.0 112.866 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.45 6.37 70.88 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.81 1.672 . . . . 0.0 114.349 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -87.79 115.19 25.07 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.849 1.26 . . . . 0.0 110.47 -175.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -75.83 140.37 42.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.662 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -143.16 148.71 36.98 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 122.36 1.076 . . . . 0.0 111.797 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -112.33 142.84 44.35 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.727 2.011 . . . . 0.0 110.466 -171.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -153.85 109.55 3.23 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.228 -167.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -121.69 150.16 42.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.634 0.73 . . . . 0.0 110.995 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -152.31 104.48 2.94 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.698 1.199 . . . . 0.0 109.599 -170.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.518 ' HE2' ' CZ ' ' B' ' 6' ' ' PHE . 75.4 mttt -90.22 168.37 11.99 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.008 0.923 . . . . 0.0 109.617 171.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.32 38.48 91.49 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 119.588 -0.562 . . . . 0.0 114.314 169.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.05 -162.65 1.28 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.176 0.99 . . . . 0.0 111.596 -177.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 28.7 p -133.34 176.55 8.43 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.21 -0.931 . . . . 0.0 113.102 -176.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.35 -37.23 82.6 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 49.2 m -65.01 -30.5 71.49 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -77.61 -31.4 52.86 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.04 0.936 . . . . 0.0 112.062 175.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -61.2 -45.28 95.24 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.742 -0.599 . . . . 0.0 111.893 167.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -60.93 -31.21 70.75 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.15 -51.22 62.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.009 169.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.22 -53.29 59.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.356 0.98 . . . . 0.0 111.013 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -57.63 -49.07 77.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.708 1.203 . . . . 0.0 112.131 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.51 -28.52 35.66 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-O 119.19 -0.783 . . . . 0.0 115.012 -171.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -89.71 -39.78 12.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.767 1.283 . . . . 0.0 111.626 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 38.2 m -81.3 -50.66 9.25 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 119.424 -0.322 . . . . 0.0 110.677 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.89 -1.12 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 119.888 3.292 . . . . 0.0 119.888 164.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -64.94 92.17 0.1 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.708 1.203 . . . . 0.0 113.395 -171.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 66.99 -35.08 0.24 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 129.474 3.11 . . . . 0.0 115.814 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' B' ' 16' ' ' LEU . 18.4 mm 56.8 107.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 127.399 2.279 . . . . 0.0 112.11 -170.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.437 HD13 ' HE3' ' A' ' 54' ' ' LYS . 45.5 mm -108.14 -51.76 7.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.817 -177.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -140.75 156.38 46.2 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.394 1.077 . . . . 0.0 109.487 170.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 pp -152.7 164.94 36.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.886 0.85 . . . . 0.0 111.278 154.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -142.07 145.83 34.77 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.259 2.224 . . . . 0.0 109.519 173.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 tt -142.56 144.82 33.07 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.982 1.313 . . . . 0.0 109.501 164.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.86 134.84 35.58 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.48 1.512 . . . . 0.0 107.616 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -68.04 139.82 56.29 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.572 0.701 . . . . 0.0 109.265 154.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -124.73 145.71 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 125.551 1.54 . . . . 0.0 109.347 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.247 0.926 0 C-N-CA 128.316 2.647 . . . . 0.0 113.075 -169.179 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 CA--C 1.511 -0.528 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.7 152.99 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 122.381 1.086 . . . . 0.0 111.952 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -76.19 76.33 3.01 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.653 171.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -69.5 -39.23 77.71 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.71 168.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -138.78 -177.0 4.68 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 150.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -52.18 120.97 6.03 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.815 0.817 . . . . 0.0 111.807 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -115.83 142.77 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 113.951 -1.477 . . . . 0.0 111.714 -155.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t70 69.55 -64.97 0.32 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 128.121 2.568 . . . . 0.0 115.696 167.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t -155.92 -177.36 6.52 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.642 1.577 . . . . 0.0 110.604 -169.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -42.93 131.55 4.14 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.479 1.511 . . . . 0.0 113.178 -167.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 26.4 t70 -77.47 148.23 35.49 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.008 156.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -135.06 92.71 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 125.921 1.688 . . . . 0.0 108.443 159.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 m -68.36 124.22 22.92 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 165.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.53 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 1.8 tpp -139.24 148.5 43.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.775 0.798 . . . . 0.0 111.495 -177.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.53 ' N ' ' HG3' ' A' ' 14' ' ' MET . 0.1 OUTLIER -149.07 128.33 12.9 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.123 -176.362 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.35 168.31 10.75 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 113.574 -1.648 . . . . 0.0 109.308 175.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -86.45 156.6 20.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.543 153.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.15 177.76 8.36 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 122.022 0.915 . . . . 0.0 112.333 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.0 -19.39 64.3 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 -161.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.8 -5.06 27.33 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 171.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.06 13.89 65.5 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 124.587 1.089 . . . . 0.0 113.075 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -128.72 156.59 43.27 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 125.169 1.388 . . . . 0.0 110.241 -171.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -81.12 150.54 28.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.391 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -141.41 141.16 33.76 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.969 0.89 . . . . 0.0 111.115 176.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -132.15 133.18 43.96 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.003 -1.453 . . . . 0.0 110.308 -159.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.0 159.44 44.21 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 122.525 1.155 . . . . 0.0 112.41 165.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -83.87 139.91 32.33 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 112.857 -1.974 . . . . 0.0 111.716 161.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -126.7 81.09 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.011 0.924 . . . . 0.0 108.509 172.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -103.39 167.77 9.6 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -170.534 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.15 37.09 91.19 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.806 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.97 -167.37 1.94 Allowed 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.463 1.105 . . . . 0.0 109.613 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 p -139.08 179.6 6.41 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 120.886 -1.134 . . . . 0.0 112.939 -173.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.66 -26.63 68.47 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.8 p -77.94 -24.8 48.12 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 171.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -79.16 -32.51 44.31 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.964 1.306 . . . . 0.0 111.305 171.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.403 ' HE1' HD11 ' A' ' 50' ' ' LEU . 23.0 t80 -59.19 -43.27 92.21 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.861 0.864 . . . . 0.0 111.759 167.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -60.91 -28.79 69.17 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.3 t -69.37 -49.09 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 119.135 -0.459 . . . . 0.0 110.573 170.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.3 tp -59.37 -48.0 83.31 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.696 0.68 . . . . 0.0 111.466 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -67.63 -23.01 65.3 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.03 -25.3 27.23 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-O 119.513 -0.604 . . . . 0.0 114.468 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -118.71 -21.93 7.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.928 0.864 . . . . 0.0 113.109 -167.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.2 m -129.2 -6.64 4.85 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -164.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.1 18.89 0.06 Allowed 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.42 113.27 5.84 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.291 1.036 . . . . 0.0 113.118 -176.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 59.02 53.73 5.4 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 126.651 1.98 . . . . 0.0 112.673 -172.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.5 tt -64.46 151.63 9.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.0 mm -135.34 -57.3 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.745 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.456 ' HB2' HD23 ' A' ' 15' ' ' LEU . 37.3 mttm -138.56 157.54 45.96 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-O 122.061 0.934 . . . . 0.0 111.853 176.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.403 HD11 ' HE1' ' A' ' 36' ' ' PHE . 6.1 tt -154.93 123.72 6.15 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.239 1.816 . . . . 0.0 107.872 -176.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -130.52 90.84 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.263 1.425 . . . . 0.0 108.662 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.2 tt -81.33 138.23 35.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.388 165.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -149.9 129.41 13.05 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -55.76 153.34 8.38 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-O 122.963 1.363 . . . . 0.0 111.967 170.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.67 159.89 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 113.511 -1.677 . . . . 0.0 111.662 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.0 tp . . . . . 0 C--N 1.313 -1.01 0 CA-C-N 111.129 -2.759 . . . . 0.0 112.611 177.21 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tpt . . . . . 0 N--CA 1.471 0.593 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -128.23 166.96 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 125.003 1.321 . . . . 0.0 108.407 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -70.54 27.42 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -173.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -145.12 -19.32 0.49 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.824 1.649 . . . . 0.0 114.789 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.78 -32.61 12.62 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 120.33 1.423 . . . . 0.0 113.637 -167.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -65.54 -14.23 60.62 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 161.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.271 7.5 p 40.93 59.55 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 129.694 3.198 . . . . 0.0 114.293 170.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -154.49 -147.1 0.2 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.385 1.074 . . . . 0.0 109.576 -178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -98.94 -176.25 3.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.886 2.074 . . . . 0.0 109.535 162.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -43.68 134.64 4.17 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.971 1.308 . . . . 0.0 112.166 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -95.44 130.6 42.2 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 124.743 1.217 . . . . 0.0 109.962 169.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -115.6 124.91 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 124.804 1.241 . . . . 0.0 108.194 167.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 86.8 m -122.98 95.26 4.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 125.546 1.538 . . . . 0.0 107.067 172.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.3 ttp -113.46 147.37 37.98 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.119 0.967 . . . . 0.0 109.156 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -131.79 134.26 45.63 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.152 1.381 . . . . 0.0 109.525 -175.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -124.38 169.07 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.209 1.403 . . . . 0.0 109.952 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -108.05 136.52 47.59 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 122.815 1.293 . . . . 0.0 111.411 173.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.92 160.93 27.03 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.567 1.547 . . . . 0.0 110.944 175.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -65.07 -21.07 66.76 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.8 -13.62 59.84 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 169.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.77 5.19 58.76 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.956 1.265 . . . . 0.0 114.126 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -76.52 165.86 24.21 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 117.769 0.785 . . . . 0.0 110.011 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -89.02 151.9 22.0 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.906 -0.496 . . . . 0.0 110.394 169.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -138.21 157.77 45.62 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.098 0.951 . . . . 0.0 111.228 160.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -103.73 150.32 24.16 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.538 -171.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -131.44 73.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 128.112 2.565 . . . . 0.0 107.497 166.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -86.53 120.71 28.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.406 1.482 . . . . 0.0 110.162 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -142.96 84.55 1.84 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 126.915 2.086 . . . . 0.0 110.633 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -68.78 143.7 54.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.94 164.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.91 51.31 4.82 Favored Glycine 0 CA--C 1.519 0.299 0 O-C-N 123.394 0.434 . . . . 0.0 113.925 163.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.88 -162.8 1.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.206 0.603 . . . . 0.0 109.746 172.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -137.73 177.6 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.057 -1.027 . . . . 0.0 112.32 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.25 -32.52 73.23 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -174.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -71.76 -31.93 67.15 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 173.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -75.56 -32.57 60.44 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.272 0.629 . . . . 0.0 111.619 174.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.81 -40.32 97.0 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.612 -0.68 . . . . 0.0 111.673 170.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.63 -36.34 76.15 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 173.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.88 -48.16 80.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 119.033 -0.508 . . . . 0.0 110.797 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 50.4 tp -58.82 -54.05 51.48 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.239 1.016 . . . . 0.0 112.48 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.43 -41.7 97.59 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.35 -31.23 76.52 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.39 -0.672 . . . . 0.0 114.629 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -86.54 -24.79 25.35 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 118.04 0.92 . . . . 0.0 112.728 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 55.2 m -66.74 -63.89 0.97 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.107 0.563 . . . . 0.0 111.221 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 46.77 33.26 2.05 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -114.03 -179.41 3.63 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.785 1.234 . . . . 0.0 111.146 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.4 90.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 125.712 1.605 . . . . 0.0 112.029 -176.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -64.31 131.1 29.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 124.479 1.112 . . . . 0.0 110.816 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mm -116.3 -53.62 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 113.225 -1.807 . . . . 0.0 108.088 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -142.56 151.85 41.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.756 0.822 . . . . 0.0 109.687 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tp -148.07 110.96 4.8 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.369 1.068 . . . . 0.0 108.796 171.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.38 107.17 15.87 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.19 1.396 . . . . 0.0 109.061 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.8 tt -105.47 139.43 40.1 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 123.292 0.637 . . . . 0.0 109.487 169.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -151.91 104.27 2.99 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -167.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -57.99 139.97 53.33 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 122.462 1.125 . . . . 0.0 111.972 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.5 t -129.49 145.74 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.356 -1.747 . . . . 0.0 107.104 160.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 C--O 1.249 1.038 0 CA-C-N 114.5 -1.227 . . . . 0.0 112.083 -161.485 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 ttt . . . . . 0 CA--C 1.509 -0.631 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.3 m -94.95 -17.01 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.927 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 38.54 32.57 0.05 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 129.779 3.232 . . . . 0.0 116.284 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -72.78 -22.85 60.77 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.94 1.696 . . . . 0.0 112.15 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -83.95 4.52 29.32 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 127.211 2.205 . . . . 0.0 112.364 171.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 68.14 5.68 4.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.47 1.908 . . . . 0.0 113.829 -172.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.659 HG22 ' H ' ' A' ' 8' ' ' ASP 0.301 2.1 p 55.53 -175.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 130.14 3.376 . . . . 0.0 116.152 169.191 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.659 ' H ' HG22 ' A' ' 7' ' ' VAL . 24.9 t0 -113.31 172.54 6.89 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.559 1.944 . . . . 0.0 111.444 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 86.76 -142.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.749 2.02 . . . . 0.0 109.589 -164.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -105.51 170.77 7.7 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 123.604 1.669 . . . . 0.0 112.808 168.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -129.53 129.04 43.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 130.453 3.501 . . . . 0.0 107.966 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.86 121.59 61.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 125.219 1.408 . . . . 0.0 109.144 -175.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.1 m -123.9 102.46 7.8 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -175.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.5 ttm -126.97 149.46 49.85 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.534 0.683 . . . . 0.0 112.039 -164.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 tt -136.94 106.9 6.27 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.017 1.727 . . . . 0.0 109.817 -174.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -108.63 164.41 12.39 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.649 0.738 . . . . 0.0 110.467 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -104.69 121.76 44.25 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.15 1.38 . . . . 0.0 110.95 170.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -79.48 173.12 12.91 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.737 2.415 . . . . 0.0 112.638 176.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -64.93 -24.34 67.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.72 -6.21 59.35 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.365 0.666 . . . . 0.0 112.663 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.04 19.45 79.78 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.014 0.816 . . . . 0.0 114.29 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -85.1 -26.82 26.69 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.491 1.116 . . . . 0.0 112.823 -173.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 70.8 145.73 0.06 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 128.906 2.882 . . . . 0.0 112.557 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -141.04 135.54 31.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.928 0.871 . . . . 0.0 111.64 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -114.48 132.14 56.38 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 127.586 2.354 . . . . 0.0 109.373 -173.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -150.44 142.56 24.07 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.763 0.792 . . . . 0.0 112.952 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -92.45 138.87 31.15 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.146 1.378 . . . . 0.0 110.8 173.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -145.37 98.52 3.16 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.276 1.43 . . . . 0.0 109.651 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.23 170.31 10.39 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.37 32.4 57.98 Favored Glycine 0 CA--C 1.525 0.659 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.66 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 pp -139.35 171.2 14.62 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 126.005 1.722 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 p -113.46 -179.79 3.74 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -162.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.3 mt -56.61 -39.86 74.33 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.401 0.681 . . . . 0.0 112.432 175.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.1 m -66.07 -30.47 70.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.997 0.919 . . . . 0.0 112.997 175.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -82.33 -34.88 28.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.587 1.155 . . . . 0.0 111.371 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.14 -46.79 82.4 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.384 1.074 . . . . 0.0 111.048 165.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.46 -29.87 68.11 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.781 0.832 . . . . 0.0 113.201 175.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.3 t -68.06 -55.41 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 118.575 0.625 . . . . 0.0 109.889 169.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.07 -42.89 95.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.242 0.928 . . . . 0.0 112.85 -177.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -69.63 -38.43 77.2 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.301 1.04 . . . . 0.0 112.829 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.79 -20.46 24.09 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 115.64 1.016 . . . . 0.0 115.64 -169.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -104.77 -24.9 12.85 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.682 1.241 . . . . 0.0 113.391 -172.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 83.3 m -68.29 -33.17 73.86 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.254 1.021 . . . . 0.0 112.444 -170.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.54 -0.26 0.06 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.198 2.599 . . . . 0.0 117.455 176.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -72.3 146.99 46.81 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.169 0.895 . . . . 0.0 110.481 162.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -66.81 116.11 7.33 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.875 0.47 . . . . 0.0 111.247 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.38 128.14 32.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 123.989 0.916 . . . . 0.0 111.244 176.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.3 mm -112.69 -49.77 5.75 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 127.604 2.362 . . . . 0.0 108.568 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -138.32 154.85 48.98 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.842 0.83 . . . . 0.0 111.299 169.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 tt -157.9 132.18 8.21 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.428 1.491 . . . . 0.0 108.302 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.407 HH21 ' CG ' ' A' ' 53' ' ' ASP . 25.1 mmm-85 -125.18 142.5 51.46 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 126.541 1.937 . . . . 0.0 108.645 164.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 tp -133.63 127.52 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.76 2.024 . . . . 0.0 105.695 169.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' CG ' HH21 ' A' ' 51' ' ' ARG . 1.8 m-20 -132.49 127.04 34.37 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.128 1.371 . . . . 0.0 107.8 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -63.32 121.7 14.38 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 121.144 -0.972 . . . . 0.0 108.51 161.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.8 101.95 12.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 122.266 1.031 . . . . 0.0 109.819 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.1 tp . . . . . 0 C--O 1.249 1.076 0 C-N-CA 130.496 3.518 . . . . 0.0 114.515 -164.491 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.4 tpt . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.5 m -92.62 176.33 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 121.786 0.803 . . . . 0.0 111.688 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.48 ' OE1' ' HE2' ' B' ' 29' ' ' LYS . 53.2 tp60 -69.42 104.44 2.29 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.889 1.276 . . . . 0.0 110.024 166.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -111.43 -78.11 0.59 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 165.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -133.15 -169.54 2.29 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.058 2.143 . . . . 0.0 107.109 162.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -63.38 70.69 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 122.312 1.054 . . . . 0.0 111.61 159.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.26 140.86 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 125.984 1.713 . . . . 0.0 108.35 167.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -67.94 160.28 28.88 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -173.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.6 t 73.34 170.07 0.31 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.463 1.905 . . . . 0.0 111.425 -161.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -49.1 143.05 6.16 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.708 1.603 . . . . 0.0 114.099 -161.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -112.63 115.65 28.93 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 128.238 2.615 . . . . 0.0 109.311 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.466 HG23 HD11 ' B' ' 31' ' ' LEU . 73.0 t -102.02 124.16 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 C-N-CA 124.401 1.081 . . . . 0.0 108.709 171.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 47.8 m -121.31 95.8 4.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 32.4 ttp -103.22 158.88 16.01 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.331 0.653 . . . . 0.0 111.205 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.87 119.99 8.85 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.036 1.334 . . . . 0.0 110.416 -171.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -117.32 172.58 7.21 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.546 1.538 . . . . 0.0 110.659 -173.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -122.33 136.17 54.85 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.959 0.904 . . . . 0.0 111.609 172.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -82.17 164.84 21.0 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.101 1.76 . . . . 0.0 111.911 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -60.73 -31.18 70.5 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.838 1.255 . . . . 0.0 112.923 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -73.54 -9.78 59.04 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.382 -0.824 . . . . 0.0 112.788 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.74 0.7 66.37 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.393 1.473 . . . . 0.0 114.204 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -80.51 148.55 30.38 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.468 1.134 . . . . 0.0 111.134 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -106.61 138.97 41.81 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 123.59 0.756 . . . . 0.0 110.35 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -140.55 150.26 43.45 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.87 0.843 . . . . 0.0 112.32 -173.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -94.06 156.02 16.8 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.554 1.142 . . . . 0.0 113.087 -173.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -136.53 82.41 1.94 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.352 2.661 . . . . 0.0 108.091 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -79.44 120.29 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.342 1.457 . . . . 0.0 110.264 172.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -140.15 95.76 2.94 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.361 1.464 . . . . 0.0 110.484 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.48 ' HE2' ' OE1' ' B' ' 3' ' ' GLN . 57.7 mttm -100.97 165.32 11.39 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.163 0.985 . . . . 0.0 111.902 -173.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.07 61.72 6.3 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.873 1.225 . . . . 0.0 112.849 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.466 HD11 HG23 ' B' ' 12' ' ' VAL . 1.5 pp -140.34 -160.37 1.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.446 1.099 . . . . 0.0 110.584 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.5 p -141.7 179.87 6.58 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.693 -1.254 . . . . 0.0 113.277 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.0 -36.58 84.46 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 94.7 p -68.53 -23.31 64.51 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 172.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -82.55 -36.78 25.98 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.381 1.072 . . . . 0.0 110.926 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -57.93 -41.79 83.48 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.722 -0.611 . . . . 0.0 111.384 167.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.07 -29.92 68.87 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 174.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.53 -52.28 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 118.863 0.756 . . . . 0.0 109.606 170.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 tp -59.87 -51.9 67.73 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.107 0.412 . . . . 0.0 111.242 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.81 -26.36 68.59 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.732 0.813 . . . . 0.0 113.029 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.76 -21.21 48.0 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.188 -0.785 . . . . 0.0 114.935 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -119.23 -27.75 5.58 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.836 1.318 . . . . 0.0 113.695 -173.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.3 m -124.01 -3.94 8.05 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.229 1.412 . . . . 0.0 112.086 -160.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.8 37.19 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.384 1.873 . . . . 0.0 114.044 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -73.49 86.83 1.57 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.472 1.909 . . . . 0.0 111.809 -169.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 61.43 68.78 0.69 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.365 1.866 . . . . 0.0 110.752 -167.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.32 125.47 27.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 126.059 1.744 . . . . 0.0 112.009 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.5 mm -107.68 -41.69 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 128.143 2.577 . . . . 0.0 109.769 -175.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -154.75 165.41 36.69 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 111.577 159.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -146.91 157.59 43.68 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 122.04 0.924 . . . . 0.0 111.425 160.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -117.11 144.32 44.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.827 2.051 . . . . 0.0 108.832 167.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.9 tp -134.25 123.59 24.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.212 1.805 . . . . 0.0 107.523 165.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -139.33 118.06 12.33 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.099 0.959 . . . . 0.0 109.046 -170.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -69.04 96.52 0.8 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.411 0.624 . . . . 0.0 110.699 175.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.69 143.39 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 160.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 25.8 tp . . . . . 0 C--O 1.25 1.123 0 C-N-CA 128.094 2.558 . . . . 0.0 113.482 -169.004 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.467 0.381 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t 63.1 86.36 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.198 1.399 . . . . 0.0 109.236 -160.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -77.43 31.62 0.15 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.162 1.785 . . . . 0.0 114.458 -166.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -134.31 -7.43 2.6 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.113 2.565 . . . . 0.0 112.14 176.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -134.2 -41.69 0.81 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.957 1.303 . . . . 0.0 111.214 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -131.04 67.52 1.51 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.371 1.469 . . . . 0.0 109.462 170.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.23 155.27 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.175 165.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.45 147.03 46.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 123.143 1.449 . . . . 0.0 112.039 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 m 144.6 -175.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.98 2.912 . . . . 0.0 109.437 -150.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -94.75 158.23 15.6 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.604 1.192 . . . . 0.0 109.863 158.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 51' ' ' ARG . 1.7 t0 -107.51 137.71 45.05 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 130.871 3.668 . . . . 0.0 105.714 163.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -130.93 89.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 C-N-CA 127.209 2.204 . . . . 0.0 107.154 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.2 m -96.38 101.62 13.28 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.525 1.13 . . . . 0.0 108.296 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ttp -118.71 161.02 20.79 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.85 0.86 . . . . 0.0 109.868 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pp -152.15 158.82 43.46 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 122.652 1.215 . . . . 0.0 112.136 163.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -135.96 171.09 14.97 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 127.195 2.198 . . . . 0.0 110.039 -169.53 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -119.86 132.11 55.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.757 0.823 . . . . 0.0 110.682 173.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.24 161.38 29.38 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.292 1.037 . . . . 0.0 111.863 174.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.87 -23.71 66.46 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 173.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.21 -2.18 23.72 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.035 0.934 . . . . 0.0 112.92 170.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.97 6.08 76.2 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.397 1.475 . . . . 0.0 114.799 173.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -98.72 150.24 22.01 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.985 0.914 . . . . 0.0 111.475 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -88.58 148.55 24.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.691 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -143.41 143.31 31.57 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 124.049 0.939 . . . . 0.0 110.662 173.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -83.62 153.42 24.29 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 122.454 1.121 . . . . 0.0 112.68 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -129.52 69.73 1.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 128.29 2.636 . . . . 0.0 106.427 164.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -86.39 118.58 25.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.578 1.551 . . . . 0.0 109.564 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -134.11 146.49 50.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 125.271 1.428 . . . . 0.0 108.865 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.63 168.25 23.31 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.27 0.628 . . . . 0.0 110.109 164.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.12 62.27 Favored Glycine 0 CA--C 1.533 1.208 0 O-C-N 123.656 0.597 . . . . 0.0 112.89 -173.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -127.34 -176.95 3.89 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.868 1.667 . . . . 0.0 110.779 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 p -131.67 177.6 7.39 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.431 0.692 . . . . 0.0 112.819 -171.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.53 -33.92 75.88 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.515 -0.74 . . . . 0.0 112.381 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.0 m -71.36 -19.02 62.34 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.909 0.884 . . . . 0.0 113.041 174.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -89.32 -34.77 16.44 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.524 1.13 . . . . 0.0 110.876 174.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.65 -42.1 92.04 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.428 0.691 . . . . 0.0 112.018 166.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -53.43 -38.56 63.62 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.962 1.305 . . . . 0.0 111.794 173.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.2 t -71.35 -49.06 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.183 0.993 . . . . 0.0 111.19 174.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.6 tp -58.11 -50.64 72.77 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.88 0.763 . . . . 0.0 111.75 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -63.44 -37.09 85.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.933 0.493 . . . . 0.0 111.65 175.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.81 -16.16 80.36 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.481 0.952 . . . . 0.0 115.481 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -114.15 -31.3 6.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.936 1.368 . . . . 0.0 113.245 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.3 m -124.48 -9.59 7.43 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -159.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.411 ' HA ' HD21 ' A' ' 16' ' ' LEU . . . -72.96 49.0 0.23 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.722 1.609 . . . . 0.0 114.359 -178.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.67 -68.92 0.17 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.153 2.181 . . . . 0.0 112.859 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -131.96 82.08 2.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.157 1.383 . . . . 0.0 109.388 171.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.09 145.02 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 113.59 -1.641 . . . . 0.0 110.319 -170.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 mm -125.58 -60.97 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 C-N-CA 124.975 1.31 . . . . 0.0 108.481 -169.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -135.93 152.28 50.83 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.685 1.194 . . . . 0.0 111.137 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 tt -151.72 128.73 11.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.666 1.586 . . . . 0.0 108.278 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.551 HH12 ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -138.55 88.76 2.32 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 125.685 1.594 . . . . 0.0 109.017 178.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -83.91 136.26 34.16 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.759 0.824 . . . . 0.0 109.307 166.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -151.83 118.55 5.75 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.152 1.381 . . . . 0.0 110.497 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -59.59 115.48 3.34 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.502 -0.749 . . . . 0.0 110.231 165.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.2 149.68 10.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 122.699 1.238 . . . . 0.0 110.1 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.6 tp . . . . . 0 C--O 1.25 1.095 0 C-N-CA 128.354 2.662 . . . . 0.0 111.222 179.291 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ttm . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 m -120.24 -10.39 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 125.161 1.385 . . . . 0.0 113.391 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 28.79 83.58 0.01 OUTLIER 'General case' 0 C--N 1.342 0.245 0 C-N-CA 128.113 2.565 . . . . 0.0 114.3 170.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -72.18 -64.23 0.98 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.537 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' B' ' 7' ' ' VAL . 24.9 t0 -152.79 81.54 1.22 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.9 0.88 . . . . 0.0 109.403 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.446 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 18.1 t80 58.12 -9.1 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.963 2.505 . . . . 0.0 114.833 -166.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.4 ' H ' ' C ' ' B' ' 5' ' ' ASP . 56.1 t -92.54 118.56 38.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 128.706 2.802 . . . . 0.0 109.368 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -142.79 -83.25 0.18 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.767 0.827 . . . . 0.0 110.382 162.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -145.64 179.33 7.5 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 127.887 2.475 . . . . 0.0 107.69 -173.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -36.35 122.54 0.75 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.066 1.746 . . . . 0.0 113.567 -169.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.02 125.38 29.31 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.517 1.127 . . . . 0.0 108.049 165.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.36 130.95 67.76 Favored 'Isoleucine or valine' 0 C--O 1.231 0.079 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 159.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 97.1 m -133.09 93.43 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.3 ttp -112.87 159.91 18.57 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.501 1.12 . . . . 0.0 111.002 -171.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -150.76 120.89 7.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.091 0.956 . . . . 0.0 110.823 -170.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -119.89 174.19 6.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.561 1.944 . . . . 0.0 110.691 -172.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -127.26 124.8 39.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 111.385 -176.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -87.29 176.92 7.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.461 1.504 . . . . 0.0 112.27 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -64.2 -23.37 67.29 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -90.21 -7.33 53.82 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.065 0.848 . . . . 0.0 111.573 173.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.42 19.38 79.47 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.19 0.9 . . . . 0.0 113.425 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -73.7 -30.81 63.08 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.349 1.075 . . . . 0.0 112.555 -173.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 77.39 138.91 0.07 Allowed 'General case' 0 C--O 1.233 0.198 0 C-N-CA 129.932 3.293 . . . . 0.0 111.986 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -134.18 147.34 50.74 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 122.361 1.077 . . . . 0.0 111.975 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -116.01 132.16 56.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.953 1.701 . . . . 0.0 110.401 -161.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -128.09 75.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 126.645 1.978 . . . . 0.0 109.008 -169.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -78.15 121.28 24.11 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.195 1.398 . . . . 0.0 110.331 167.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -145.73 93.28 2.33 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.663 1.985 . . . . 0.0 109.836 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' B' ' 6' ' ' PHE . 64.8 tttt -106.22 160.7 15.14 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.237 1.015 . . . . 0.0 111.018 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.81 36.58 18.71 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.993 -0.337 . . . . 0.0 112.656 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 pp -133.44 -165.57 1.64 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.335 1.454 . . . . 0.0 110.609 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.4 p -140.46 -177.67 5.15 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.092 -1.005 . . . . 0.0 113.063 173.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.4 mt -57.72 -36.25 71.77 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -166.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 20.0 p -69.41 -30.17 68.07 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.38 -0.825 . . . . 0.0 113.035 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -78.06 -31.8 50.47 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.608 1.163 . . . . 0.0 112.389 172.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -58.84 -47.02 86.32 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.513 -0.742 . . . . 0.0 110.955 165.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.04 -28.48 69.09 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.45 -51.74 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 119.08 0.855 . . . . 0.0 110.861 169.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.95 -49.77 76.36 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.407 0.683 . . . . 0.0 111.973 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -60.45 -45.47 93.58 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.131 1.373 . . . . 0.0 111.639 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.14 -26.57 72.5 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 118.463 -1.187 . . . . 0.0 114.835 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -96.06 -12.79 24.33 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.96 1.38 . . . . 0.0 113.89 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 81.1 p -119.47 -105.54 0.39 Allowed 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.28 0.491 . . . . 0.0 110.754 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 48.49 14.59 0.07 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.051 2.14 . . . . 0.0 114.903 -167.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.04 99.89 0.39 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.817 2.447 . . . . 0.0 112.419 -170.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 47.89 44.78 18.59 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.159 1.383 . . . . 0.0 111.332 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.6 tt -53.06 149.29 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 125.727 1.611 . . . . 0.0 114.457 -166.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.1 mm -124.02 -56.59 2.38 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 C-N-CA 127.08 2.152 . . . . 0.0 108.716 -170.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -135.55 156.31 49.09 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.588 0.631 . . . . 0.0 111.474 173.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.4 tp -150.03 105.87 3.43 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.049 1.74 . . . . 0.0 107.501 169.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -98.18 140.86 31.84 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.803 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 tt -139.47 143.49 37.56 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.83 0.852 . . . . 0.0 109.563 166.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -149.62 117.21 6.17 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.694 1.198 . . . . 0.0 109.451 -175.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -63.56 153.44 35.76 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 122.704 1.24 . . . . 0.0 112.123 175.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -120.59 157.63 23.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.725 -1.58 . . . . 0.0 107.408 172.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 tp . . . . . 0 C--O 1.251 1.14 0 C-N-CA 129.074 2.95 . . . . 0.0 114.313 -175.788 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tmm? . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 119.092 -0.48 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.14 101.42 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 CA-C-O 121.89 0.852 . . . . 0.0 109.042 174.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -94.04 85.15 4.64 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.361 1.464 . . . . 0.0 108.892 -173.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -137.71 -79.14 0.37 Allowed 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -122.15 56.36 1.1 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.969 0.89 . . . . 0.0 111.465 -161.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 46.02 55.55 6.98 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 114.46 -1.246 . . . . 0.0 111.38 -169.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.6 t -76.28 134.76 28.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.184 170.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -59.35 146.08 41.04 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 123.714 1.721 . . . . 0.0 115.211 -169.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.0 m 137.6 -170.51 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.24 2.616 . . . . 0.0 108.244 -143.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -92.0 147.47 22.93 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.242 1.02 . . . . 0.0 110.229 162.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -101.04 120.23 39.9 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 128.522 2.729 . . . . 0.0 107.731 166.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.7 t -124.94 101.8 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 124.343 1.057 . . . . 0.0 110.022 -174.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.0 m -102.19 94.35 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.01 1.324 . . . . 0.0 108.631 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.0 ttm -96.7 160.67 14.25 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.459 0.704 . . . . 0.0 110.423 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.64 119.32 8.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.094 0.958 . . . . 0.0 109.878 -176.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 44' ' ' ALA . 1.3 mm? -116.23 177.1 4.81 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.221 1.409 . . . . 0.0 110.513 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -131.35 136.22 47.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.047 0.939 . . . . 0.0 111.011 176.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -77.1 162.69 27.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 124.781 1.233 . . . . 0.0 111.503 173.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.43 -27.27 68.99 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.62 -7.44 54.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.474 1.109 . . . . 0.0 112.796 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.39 2.05 66.01 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.929 1.252 . . . . 0.0 114.072 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -70.9 118.95 14.33 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 118.451 1.126 . . . . 0.0 110.36 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -83.76 134.39 34.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.404 0.282 . . . . 0.0 110.682 173.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -139.9 144.74 37.32 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 122.275 1.036 . . . . 0.0 111.901 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -83.82 154.36 23.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.32 -1.309 . . . . 0.0 112.653 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -134.3 83.99 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 127.582 2.353 . . . . 0.0 107.956 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -74.2 130.01 38.93 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.629 1.171 . . . . 0.0 110.943 172.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -138.98 72.8 1.41 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 122.496 1.141 . . . . 0.0 110.728 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -81.83 57.42 3.43 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.872 2.069 . . . . 0.0 112.213 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.54 50.08 0.02 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 115.677 1.031 . . . . 0.0 115.677 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp -128.28 -176.73 3.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.527 0.731 . . . . 0.0 111.357 172.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.9 p -114.78 175.44 5.49 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.278 -0.889 . . . . 0.0 112.949 -173.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.8 mt -62.1 -33.05 73.73 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.7 m -67.61 -34.62 77.37 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 171.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -78.23 -30.77 48.96 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.719 0.807 . . . . 0.0 111.651 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -61.97 -42.71 99.44 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.584 0.754 . . . . 0.0 111.265 168.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.54 -30.61 71.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.148 0.885 . . . . 0.0 112.885 174.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -67.86 -49.98 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 121.712 -0.617 . . . . 0.0 110.731 168.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.6 -49.59 74.45 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.68 0.792 . . . . 0.0 111.594 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -69.58 -17.14 63.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.724 1.209 . . . . 0.0 113.511 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.78 -37.92 4.57 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.274 0.94 . . . . 0.0 113.935 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -102.57 -30.44 10.96 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.587 1.155 . . . . 0.0 113.197 -171.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.8 m -117.4 -10.59 10.68 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.663 0.785 . . . . 0.0 112.549 -163.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.477 ' HA ' HD11 ' A' ' 16' ' ' LEU . . . -70.42 37.42 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.593 1.957 . . . . 0.0 114.834 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.73 94.06 0.99 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.86 1.664 . . . . 0.0 111.92 -172.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 55.09 72.67 0.46 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 126.173 1.789 . . . . 0.0 111.906 -167.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.74 152.5 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 114.429 -1.26 . . . . 0.0 113.701 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mm -129.39 -58.33 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 126.894 2.077 . . . . 0.0 108.086 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -130.78 160.96 32.83 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.093 0.949 . . . . 0.0 112.738 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 tp -151.19 126.24 9.83 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.003 1.721 . . . . 0.0 109.456 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -117.73 135.26 54.15 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.683 1.593 . . . . 0.0 107.936 163.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 tt -138.53 135.19 34.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.66 0.784 . . . . 0.0 108.988 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -149.82 116.32 5.81 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 123.556 0.742 . . . . 0.0 109.394 -165.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -62.01 107.34 0.85 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.875 0.761 . . . . 0.0 110.287 167.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.41 146.9 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 124.95 1.3 . . . . 0.0 107.814 167.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.6 tp . . . . . 0 C--O 1.25 1.105 0 CA-C-O 115.205 -2.331 . . . . 0.0 113.345 -167.832 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 m 46.51 29.03 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 129.472 3.109 . . . . 0.0 116.903 176.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -102.1 74.9 1.47 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 172.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -142.58 7.6 1.71 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -166.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -114.4 -46.62 2.96 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.896 -0.502 . . . . 0.0 112.026 -164.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.41 5.16 25.12 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 124.462 1.105 . . . . 0.0 112.71 176.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 p -57.44 118.31 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 127.705 2.402 . . . . 0.0 113.775 -166.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -151.44 -69.71 0.17 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.261 1.025 . . . . 0.0 112.67 175.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -130.97 175.47 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 127.137 2.175 . . . . 0.0 110.824 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -43.1 133.34 3.88 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 125.635 1.574 . . . . 0.0 113.37 -164.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.32 104.99 16.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.697 1.599 . . . . 0.0 109.538 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.477 HG22 HD12 ' B' ' 52' ' ' LEU . 41.0 t -102.08 133.94 44.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 C-N-CA 123.774 0.83 . . . . 0.0 109.356 172.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 35.2 m -136.34 102.38 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.516 1.126 . . . . 0.0 108.08 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 56.7 ttp -120.94 159.96 24.48 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.072 0.949 . . . . 0.0 109.521 -174.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -149.33 156.2 41.7 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 122.968 1.366 . . . . 0.0 111.805 170.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -129.75 162.28 28.77 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 127.425 2.29 . . . . 0.0 109.276 -167.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -109.72 139.97 44.14 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.471 0.708 . . . . 0.0 109.93 168.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -157.34 -179.61 8.35 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.651 1.181 . . . . 0.0 110.592 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 32.0 t70 40.19 76.14 0.07 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.336 1.855 . . . . 0.0 113.751 162.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 t0 74.32 3.69 4.38 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.424 2.289 . . . . 0.0 114.087 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.53 10.32 31.43 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.85 0.738 . . . . 0.0 113.551 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -73.14 142.42 47.46 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.26 1.03 . . . . 0.0 110.111 172.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -90.09 142.3 27.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.086 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -129.63 153.52 48.02 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.679 0.752 . . . . 0.0 110.912 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -118.94 142.46 47.75 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.746 1.218 . . . . 0.0 111.475 -158.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -137.8 77.46 1.63 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.698 1.999 . . . . 0.0 109.306 -168.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -82.98 122.15 27.93 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.808 1.643 . . . . 0.0 110.316 170.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -148.09 88.06 1.64 Allowed 'General case' 0 C--O 1.231 0.105 0 C-N-CA 125.914 1.686 . . . . 0.0 110.353 -173.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.2 169.52 10.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.004 172.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.2 34.93 57.57 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.41 0.529 . . . . 0.0 113.403 172.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -131.22 -164.08 1.4 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.553 1.141 . . . . 0.0 110.146 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 19.1 p -140.3 -179.73 6.17 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.036 -1.04 . . . . 0.0 112.86 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.48 -36.14 75.45 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -173.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 66.5 m -69.7 -21.97 63.45 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 174.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -86.34 -34.38 20.29 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.659 1.183 . . . . 0.0 111.065 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -62.14 -41.84 98.67 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.538 -0.726 . . . . 0.0 112.062 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -53.24 -40.74 64.78 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.752 1.221 . . . . 0.0 111.814 172.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.57 -50.36 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 123.303 0.641 . . . . 0.0 111.636 172.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.66 -50.18 72.86 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.566 0.746 . . . . 0.0 111.818 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -59.88 -62.91 1.52 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.038 0.935 . . . . 0.0 110.566 172.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.5 -24.09 61.29 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.42 0.928 . . . . 0.0 115.42 -171.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -89.19 -16.78 30.51 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.831 1.315 . . . . 0.0 113.21 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -128.83 -21.54 3.36 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -160.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.56 25.57 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 -165.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.2 -37.79 75.48 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.221 1.409 . . . . 0.0 114.337 -172.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -144.47 49.8 1.31 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 122.945 1.355 . . . . 0.0 109.798 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.69 138.29 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.208 -171.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.7 mm -118.42 -51.86 4.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 125.015 1.326 . . . . 0.0 110.611 -170.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -136.94 147.96 46.68 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 123.966 0.907 . . . . 0.0 111.912 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.1 tt -152.26 134.72 15.26 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.997 1.319 . . . . 0.0 109.963 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.08 133.09 46.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 127.149 2.18 . . . . 0.0 109.073 174.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.477 HD12 HG22 ' B' ' 12' ' ' VAL . 4.6 tt -143.95 142.86 30.97 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.217 1.407 . . . . 0.0 110.092 168.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 41.7 p30 -142.32 160.4 40.33 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.517 0.675 . . . . 0.0 112.492 149.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.25 122.9 19.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.958 -1.019 . . . . 0.0 108.477 153.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -75.59 144.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.794 -170.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.25 1.105 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -167.957 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.6 tpp . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.1 m -68.97 -21.43 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -71.31 83.53 0.77 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.679 1.592 . . . . 0.0 110.553 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -90.05 -54.97 3.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.229 1.012 . . . . 0.0 111.194 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.34 -83.96 0.65 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.109 1.764 . . . . 0.0 110.205 -176.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -130.3 28.51 4.97 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.454 1.901 . . . . 0.0 111.736 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.8 t -67.23 80.5 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.589 1.956 . . . . 0.0 112.933 -162.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -154.28 -66.22 0.14 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.284 1.434 . . . . 0.0 111.665 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.2 t -163.66 -178.95 6.08 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.423 1.889 . . . . 0.0 109.747 -174.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -43.05 132.5 4.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.516 1.526 . . . . 0.0 112.849 -168.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -100.73 115.87 31.29 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.227 2.611 . . . . 0.0 108.932 171.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.24 98.12 6.55 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.086 0 C-N-CA 125.082 1.353 . . . . 0.0 109.279 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.2 m -91.42 99.42 12.38 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 170.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.8 ttp -103.04 162.42 12.95 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.181 0.592 . . . . 0.0 110.753 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.11 118.83 6.57 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.633 0.773 . . . . 0.0 111.088 -169.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -117.79 174.66 6.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.644 1.578 . . . . 0.0 110.587 -176.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -122.32 129.73 52.45 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.246 1.018 . . . . 0.0 110.826 172.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.35 161.02 30.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.424 1.489 . . . . 0.0 111.755 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -62.09 -21.47 65.0 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -76.38 -14.54 60.07 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 121.252 -0.905 . . . . 0.0 113.013 170.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.58 5.62 53.79 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 127.103 2.287 . . . . 0.0 114.062 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -81.38 125.82 30.87 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.532 1.533 . . . . 0.0 110.123 -177.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -80.24 137.51 36.65 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.278 -0.264 . . . . 0.0 110.641 172.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.77 144.67 35.61 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 121.72 0.771 . . . . 0.0 112.154 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -83.79 151.94 24.91 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.495 1.118 . . . . 0.0 112.324 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -133.55 86.21 2.27 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.291 2.636 . . . . 0.0 107.869 171.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -77.25 118.46 19.77 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.101 1.36 . . . . 0.0 110.399 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -136.49 98.04 3.72 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.937 1.295 . . . . 0.0 110.401 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 166.01 15.39 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.776 1.23 . . . . 0.0 113.042 -171.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.45 42.26 95.93 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.583 0.611 . . . . 0.0 111.848 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 pp -138.85 -164.49 1.66 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.149 0.979 . . . . 0.0 110.59 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 p -138.38 179.13 6.64 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.504 -1.373 . . . . 0.0 113.462 -174.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.32 -37.99 82.33 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.34 -0.85 . . . . 0.0 112.954 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.6 m -67.63 -25.72 65.88 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.553 -0.717 . . . . 0.0 112.923 174.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -84.07 -33.81 24.34 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.703 1.201 . . . . 0.0 110.92 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -59.28 -42.53 91.46 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.224 -0.923 . . . . 0.0 111.403 166.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -59.79 -27.69 66.79 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.97 -50.6 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.257 0.623 . . . . 0.0 110.49 169.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.5 tp -55.31 -49.98 70.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.328 0.651 . . . . 0.0 111.361 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -62.11 -34.85 77.1 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.433 1.093 . . . . 0.0 112.6 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.89 -23.84 58.97 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 119.237 -0.757 . . . . 0.0 114.834 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -111.95 -27.23 8.52 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.588 1.194 . . . . 0.0 113.709 -171.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 m -129.4 -6.85 4.74 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.641 0.776 . . . . 0.0 112.69 -160.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.59 25.18 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -71.07 107.01 3.92 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.777 2.031 . . . . 0.0 111.724 -174.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 57.93 58.62 3.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.837 1.655 . . . . 0.0 112.129 -171.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 tp -58.65 128.31 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 127.777 2.431 . . . . 0.0 113.155 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.5 mm -119.65 -60.51 2.55 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 C-N-CA 128.372 2.669 . . . . 0.0 107.449 -177.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -133.11 159.06 41.21 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.247 1.022 . . . . 0.0 112.325 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 tt -152.28 126.6 9.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.331 1.453 . . . . 0.0 108.118 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.13 89.46 2.92 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 125.828 1.651 . . . . 0.0 108.867 174.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.9 tt -89.17 136.1 33.2 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 169.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -148.91 113.37 5.3 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.329 1.452 . . . . 0.0 110.377 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -54.79 121.62 8.96 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.285 1.034 . . . . 0.0 110.538 168.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.86 153.61 6.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 167.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.4 tp . . . . . 0 C--O 1.247 0.973 0 C-N-CA 128.463 2.705 . . . . 0.0 112.308 179.855 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.549 ' HA ' ' OD2' ' B' ' 5' ' ' ASP . 36.1 mtt . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.076 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.9 t -145.32 -57.56 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 O-C-N 124.911 1.382 . . . . 0.0 109.955 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -141.47 144.12 34.21 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.182 1.393 . . . . 0.0 110.357 -173.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 30.7 t30 61.84 -20.07 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.797 2.439 . . . . 0.0 115.546 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ASP . . . . . 0.549 ' OD2' ' HA ' ' B' ' 1' ' ' MET . 8.9 p30 -87.43 -37.91 16.6 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.014 1.726 . . . . 0.0 111.873 163.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -61.19 90.81 0.02 OUTLIER 'General case' 0 C--O 1.234 0.256 0 C-N-CA 124.588 1.155 . . . . 0.0 108.308 137.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -108.03 150.32 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.413 1.085 . . . . 0.0 112.424 -164.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t70 64.36 -77.11 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.196 2.199 . . . . 0.0 115.184 166.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.5 m -135.84 -176.36 4.27 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.527 1.931 . . . . 0.0 111.46 -165.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -47.74 123.12 5.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.343 1.457 . . . . 0.0 111.662 -174.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -81.0 134.22 35.64 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 163.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.13 134.63 62.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 C-N-CA 123.894 0.877 . . . . 0.0 108.768 167.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 51.2 m -133.38 95.77 3.58 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.522 1.929 . . . . 0.0 106.856 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 49.8 ttp -110.6 157.74 19.34 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.875 0.87 . . . . 0.0 109.853 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 pp -148.76 146.99 28.3 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 122.593 1.187 . . . . 0.0 112.134 171.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -119.03 175.88 5.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.633 1.973 . . . . 0.0 109.087 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -119.86 146.89 45.33 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.817 0.847 . . . . 0.0 112.754 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -143.97 175.23 10.18 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.764 1.625 . . . . 0.0 110.722 175.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 27.9 t70 30.9 72.19 0.07 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 128.471 2.708 . . . . 0.0 115.26 159.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 t70 77.83 -3.52 2.37 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.965 2.506 . . . . 0.0 114.162 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.75 6.22 3.74 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.729 1.157 . . . . 0.0 114.267 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -69.42 106.99 3.15 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.305 1.053 . . . . 0.0 109.813 174.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.59 142.36 35.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.53 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -134.34 145.63 49.19 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.969 0.907 . . . . 0.0 110.973 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -104.31 154.22 20.07 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 122.52 1.152 . . . . 0.0 113.385 -162.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -135.94 76.44 1.61 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 128.986 2.915 . . . . 0.0 108.055 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.84 124.65 27.25 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.253 1.421 . . . . 0.0 109.619 168.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -142.7 86.55 1.95 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.765 1.626 . . . . 0.0 109.378 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -83.3 153.53 24.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.168 1.387 . . . . 0.0 111.736 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.53 53.58 44.86 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.562 1.077 . . . . 0.0 113.853 169.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pp -133.09 -170.69 2.51 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.087 0.955 . . . . 0.0 110.751 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 13.1 p -127.75 176.21 7.72 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 120.887 -1.133 . . . . 0.0 113.113 -175.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.25 -33.66 76.33 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 120.745 -1.222 . . . . 0.0 112.665 -172.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.3 m -66.59 -27.6 67.85 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -81.8 -35.04 29.95 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.808 1.243 . . . . 0.0 110.988 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.04 -42.43 98.45 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.448 -0.783 . . . . 0.0 111.69 169.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.62 -37.79 68.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.61 0.764 . . . . 0.0 113.009 173.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.4 t -65.19 -50.1 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.011 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.67 -55.02 40.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.143 0.977 . . . . 0.0 111.673 178.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -62.1 -29.7 70.5 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.143 0.977 . . . . 0.0 112.778 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.72 -17.26 68.49 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-O 118.438 -1.201 . . . . 0.0 115.364 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -120.91 -23.35 5.92 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.455 1.627 . . . . 0.0 114.608 -173.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.7 m -127.83 -10.04 5.5 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -162.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.59 47.29 0.17 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.033 1.733 . . . . 0.0 113.111 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.85 -67.6 0.42 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.242 1.817 . . . . 0.0 113.445 -166.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -120.04 70.61 0.88 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.696 1.199 . . . . 0.0 107.97 171.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.55 125.84 39.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 124.827 1.251 . . . . 0.0 112.694 -163.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 47.9 mm -109.35 -66.01 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 127.206 2.202 . . . . 0.0 107.549 -176.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -129.7 146.88 51.44 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.205 0.911 . . . . 0.0 111.315 -173.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 tt -149.83 110.94 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.111 1.364 . . . . 0.0 108.67 -174.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.28 121.85 45.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.497 1.519 . . . . 0.0 108.997 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tt -120.69 139.32 53.21 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.382 1.073 . . . . 0.0 108.531 168.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -149.61 112.35 4.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.57 1.148 . . . . 0.0 109.7 -173.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -53.86 137.11 39.39 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.018 0.927 . . . . 0.0 113.2 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 18.9 t -116.87 157.86 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 149.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.8 tp . . . . . 0 C--O 1.25 1.119 0 C-N-CA 126.321 1.848 . . . . 0.0 110.503 -174.86 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ttt . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.9 t -63.8 -42.7 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 120.411 1.46 . . . . 0.0 110.59 -175.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.74 35.99 0.07 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.576 2.35 . . . . 0.0 114.453 174.01 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -133.62 -72.78 0.49 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.488 1.515 . . . . 0.0 109.82 169.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -141.74 41.27 1.7 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.893 1.277 . . . . 0.0 109.521 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.413 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 6.8 m-85 60.66 15.64 5.94 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.087 2.155 . . . . 0.0 114.444 -174.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.68 89.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 127.167 2.187 . . . . 0.0 112.492 -167.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -155.25 -71.37 0.12 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.712 1.605 . . . . 0.0 109.642 162.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -159.17 -174.1 4.55 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.986 2.114 . . . . 0.0 108.958 -176.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -39.79 129.24 2.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.162 1.785 . . . . 0.0 114.646 -163.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 12.6 t0 -92.2 113.08 25.26 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 126.088 1.755 . . . . 0.0 107.901 171.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.465 HG11 HD23 ' A' ' 39' ' ' LEU . 43.8 t -97.57 135.48 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 122.156 0.979 . . . . 0.0 109.016 160.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.7 m -134.47 94.91 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp -113.46 164.36 13.72 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.045 0.938 . . . . 0.0 110.51 -172.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.64 123.68 6.91 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.123 0.569 . . . . 0.0 110.61 -169.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -122.72 173.07 7.97 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.486 1.514 . . . . 0.0 111.391 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -125.44 133.58 52.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.259 1.023 . . . . 0.0 110.269 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -78.61 164.68 24.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.508 1.523 . . . . 0.0 112.055 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.03 -32.26 66.0 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.9 1.68 . . . . 0.0 112.602 172.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -72.99 -1.49 17.29 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.177 0.991 . . . . 0.0 112.522 173.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.16 2.18 90.49 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 125.41 1.481 . . . . 0.0 113.687 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.32 126.63 31.39 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 125.225 1.41 . . . . 0.0 110.71 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -87.06 137.22 32.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.585 0.354 . . . . 0.0 110.49 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -135.86 144.61 45.72 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.848 0.832 . . . . 0.0 111.202 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -85.32 153.76 22.35 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.921 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -134.71 75.5 1.58 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 128.097 2.559 . . . . 0.0 107.957 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -74.45 120.79 20.5 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.087 1.355 . . . . 0.0 110.035 169.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -144.11 98.32 3.2 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.899 0.879 . . . . 0.0 109.941 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HD3' ' CD1' ' A' ' 6' ' ' PHE . 17.2 mttm -118.17 163.45 16.64 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.929 0.892 . . . . 0.0 111.538 -169.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.93 36.53 73.58 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 116.383 -0.371 . . . . 0.0 112.194 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -130.82 -157.11 0.8 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.09 0.956 . . . . 0.0 110.622 -175.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.5 p -142.67 179.27 7.08 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 120.884 -1.135 . . . . 0.0 113.086 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.46 -34.91 78.79 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.314 -0.866 . . . . 0.0 112.695 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.9 m -66.42 -28.4 68.59 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.758 0.423 . . . . 0.0 111.753 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -80.09 -33.96 38.38 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.406 1.082 . . . . 0.0 111.546 175.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -62.5 -42.36 99.45 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.34 -0.85 . . . . 0.0 111.768 168.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.5 -35.51 70.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.003 0.921 . . . . 0.0 112.288 173.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.52 -52.83 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.193 0.597 . . . . 0.0 110.147 171.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.465 HD23 HG11 ' A' ' 12' ' ' VAL . 65.8 tp -55.87 -51.61 66.95 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.627 0.649 . . . . 0.0 112.084 -178.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.52 -47.89 83.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.396 1.079 . . . . 0.0 111.251 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.92 -27.71 70.05 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.732 0.682 . . . . 0.0 114.641 -176.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -79.98 -39.53 29.9 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.753 1.277 . . . . 0.0 111.002 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.6 m -69.25 -47.32 65.01 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.974 0.509 . . . . 0.0 110.542 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.95 27.31 5.42 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.909 2.484 . . . . 0.0 115.754 168.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -125.71 165.08 19.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.015 0.926 . . . . 0.0 111.299 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -66.13 103.02 0.89 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.279 1.432 . . . . 0.0 111.202 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.73 145.17 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 125.427 1.491 . . . . 0.0 112.604 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.3 mm -98.63 -57.54 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 126.117 1.767 . . . . 0.0 108.522 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -136.75 151.1 48.83 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.346 1.058 . . . . 0.0 110.871 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 tp -150.44 116.6 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.993 1.717 . . . . 0.0 107.936 178.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -115.56 141.82 47.56 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 123.903 0.881 . . . . 0.0 108.99 165.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.46 HD12 HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -139.32 140.02 37.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 124.085 0.866 . . . . 0.0 109.644 161.413 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.94 151.86 36.55 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.324 0.583 . . . . 0.0 112.249 165.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -65.95 155.09 37.56 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.025 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 t -135.48 15.29 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-O 122.986 1.374 . . . . 0.0 114.037 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.2 tp . . . . . 0 C--O 1.243 0.749 0 C-N-CA 129.142 2.977 . . . . 0.0 110.268 173.671 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.4 ' HA ' ' OD1' ' B' ' 8' ' ' ASP . 1.9 mpt? . . . . . 0 CA--C 1.507 -0.688 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -147.67 146.23 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 124.348 1.059 . . . . 0.0 109.109 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -84.01 76.56 10.04 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 121.8 -0.562 . . . . 0.0 110.985 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -72.99 -50.7 21.65 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.868 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -148.12 92.8 2.08 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 171.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 60.53 -48.16 0.1 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.884 2.073 . . . . 0.0 112.911 -144.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.01 176.21 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 126.163 1.785 . . . . 0.0 110.776 -155.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.4 ' OD1' ' HA ' ' B' ' 1' ' ' MET . 10.6 p-10 -107.05 154.44 21.13 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.737 0.815 . . . . 0.0 110.716 162.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.49 168.57 0.08 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.89 1.276 . . . . 0.0 112.809 -157.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -56.02 152.59 10.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.68 1.229 . . . . 0.0 113.349 -168.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.69 123.39 43.69 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 126.356 1.862 . . . . 0.0 109.009 -178.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.437 HG11 HD23 ' B' ' 39' ' ' LEU . 84.9 t -122.74 143.51 35.36 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 125.527 1.531 . . . . 0.0 110.704 -177.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 81.8 m -138.0 101.02 4.32 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 125.266 1.426 . . . . 0.0 107.803 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 26.2 ttp -109.05 157.74 18.41 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.353 0.661 . . . . 0.0 110.6 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -148.21 116.13 6.41 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.74 0.816 . . . . 0.0 110.024 -173.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -117.26 170.81 8.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.363 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -121.15 127.44 51.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.174 1.39 . . . . 0.0 110.167 171.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -77.54 166.79 22.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.337 1.055 . . . . 0.0 111.506 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -65.75 -19.27 65.83 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -83.26 -0.78 51.11 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.884 0.874 . . . . 0.0 113.037 170.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.21 0.2 74.26 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.945 1.736 . . . . 0.0 114.083 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -83.81 130.21 34.93 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.68 1.74 . . . . 0.0 110.955 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -84.71 139.4 32.03 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.512 0.725 . . . . 0.0 111.064 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -141.51 145.65 35.44 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.804 0.811 . . . . 0.0 111.817 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -86.67 152.22 22.75 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 124.427 1.091 . . . . 0.0 112.323 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -134.15 77.06 1.68 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 128.455 2.702 . . . . 0.0 107.979 172.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -70.39 128.5 36.4 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.668 0.787 . . . . 0.0 109.716 166.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -142.38 89.39 2.15 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 124.504 1.121 . . . . 0.0 109.821 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -91.33 135.17 34.0 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.952 1.301 . . . . 0.0 110.525 176.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.55 51.91 3.33 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 124.426 1.012 . . . . 0.0 112.519 169.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.65 -163.65 1.45 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.426 1.09 . . . . 0.0 110.796 176.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 33.0 p -132.12 174.85 9.77 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 120.474 -1.391 . . . . 0.0 112.398 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 19.6 mt -59.93 -37.07 78.43 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.416 -0.803 . . . . 0.0 112.388 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 33.0 m -63.56 -25.26 68.16 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 173.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -87.51 -32.42 19.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.896 1.278 . . . . 0.0 111.481 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.81 -41.75 96.32 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.569 -0.707 . . . . 0.0 111.513 167.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -58.53 -33.72 70.18 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.777 0.831 . . . . 0.0 112.435 173.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -70.42 -51.94 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.503 170.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.437 HD23 HG11 ' B' ' 12' ' ' VAL . 50.6 tp -52.4 -56.73 13.04 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.34 1.056 . . . . 0.0 111.917 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -64.1 -39.75 94.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.5 1.12 . . . . 0.0 112.195 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.47 -25.54 60.87 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.423 -0.654 . . . . 0.0 114.703 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -100.74 -27.28 13.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.399 1.099 . . . . 0.0 113.668 -171.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 63.0 m -71.15 -33.47 70.08 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -169.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.65 -1.2 0.08 Allowed 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 117.407 2.373 . . . . 0.0 117.407 169.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -76.6 160.2 29.63 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.57 1.077 . . . . 0.0 111.575 170.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.35 116.23 4.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.74 1.216 . . . . 0.0 111.042 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.96 124.19 39.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 124.908 1.283 . . . . 0.0 112.83 -173.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 25.6 mm -112.19 -51.37 5.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 C-N-CA 127.992 2.517 . . . . 0.0 108.752 -170.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -140.69 154.79 46.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.254 1.021 . . . . 0.0 111.293 172.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -147.1 156.15 42.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 122.317 1.056 . . . . 0.0 112.255 153.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -136.19 139.35 42.76 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.05 2.14 . . . . 0.0 108.521 170.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.7 tt -137.97 135.65 36.2 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 126.209 1.804 . . . . 0.0 108.579 166.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -134.0 135.16 43.24 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 125.029 1.332 . . . . 0.0 109.144 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 149.61 50.15 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.137 157.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 29.3 m -99.42 127.08 52.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.453 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 C--O 1.247 0.973 0 C-N-CA 128.271 2.628 . . . . 0.0 113.91 -174.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 119.891 -0.099 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.3 m -55.33 -34.12 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 116.452 2.019 . . . . 0.0 116.452 -161.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -127.2 40.49 3.7 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.324 1.05 . . . . 0.0 112.427 -178.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -141.25 -32.64 0.54 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.746 -174.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -112.88 13.74 19.68 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.971 0.805 . . . . 0.0 112.247 -163.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 55.03 34.33 22.25 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.702 1.601 . . . . 0.0 111.557 -170.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -71.52 95.76 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -153.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -140.73 -57.94 0.52 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.552 0.692 . . . . 0.0 110.092 150.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.1 p -146.69 169.16 19.61 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.453 1.901 . . . . 0.0 110.136 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CZ ' HD21 ' A' ' 33' ' ' LEU . 37.1 m-85 -44.66 140.71 2.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.197 2.199 . . . . 0.0 114.143 -155.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -104.75 116.48 32.09 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 125.631 1.573 . . . . 0.0 109.516 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.23 88.39 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.377 1.471 . . . . 0.0 110.615 -172.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.4 m -82.17 127.71 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.023 0.929 . . . . 0.0 108.66 176.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.4 ttm -137.3 145.12 43.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 118.593 0.633 . . . . 0.0 111.126 -174.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.3 141.79 43.85 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 122.865 1.317 . . . . 0.0 111.644 170.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 47' ' ' ILE . 17.9 mt -135.84 171.15 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.541 1.937 . . . . 0.0 108.935 -167.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -121.33 129.68 53.22 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.85 0.833 . . . . 0.0 111.788 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -74.97 160.5 30.49 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.088 1.355 . . . . 0.0 111.479 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -63.17 -21.88 66.5 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 175.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -82.99 1.43 39.9 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.455 0.702 . . . . 0.0 112.57 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.97 0.96 73.7 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.803 1.668 . . . . 0.0 114.216 175.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -78.71 131.32 36.56 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 118.102 0.951 . . . . 0.0 110.192 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -92.5 116.01 28.61 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.699 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -113.38 142.66 45.62 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.874 0.845 . . . . 0.0 110.4 -175.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -126.82 134.16 50.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.988 1.715 . . . . 0.0 109.358 -160.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -150.82 148.59 28.67 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.968 0.89 . . . . 0.0 112.377 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.83 138.86 32.88 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.923 1.289 . . . . 0.0 110.699 176.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -138.21 84.75 2.05 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.566 0.747 . . . . 0.0 109.303 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 169.92 8.31 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.699 0.8 . . . . 0.0 112.912 -178.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.02 43.87 96.72 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 123.459 0.552 . . . . 0.0 111.77 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 pp -136.91 -175.41 4.02 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.905 1.282 . . . . 0.0 110.44 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 p -133.93 -178.25 4.93 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 121.114 -0.991 . . . . 0.0 112.254 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.447 HD21 ' CZ ' ' A' ' 10' ' ' TYR . 2.9 mm? -68.18 -28.84 67.63 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -164.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.2 p -68.29 -27.06 65.98 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -79.36 -33.13 43.22 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.315 1.046 . . . . 0.0 111.697 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -63.7 -41.07 98.17 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.779 -0.576 . . . . 0.0 111.531 169.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.19 -28.98 68.41 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.631 0.773 . . . . 0.0 113.013 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.8 t -69.13 -50.93 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 118.711 0.687 . . . . 0.0 110.317 170.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.2 tp -55.89 -52.37 64.3 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.091 0.86 . . . . 0.0 111.265 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -63.25 -33.66 75.97 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.703 1.201 . . . . 0.0 113.195 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.39 -19.6 48.69 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.463 1.029 . . . . 0.0 115.244 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -118.28 -26.21 6.37 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.543 1.172 . . . . 0.0 113.523 -170.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 m -123.0 -14.82 7.51 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.863 0.465 . . . . 0.0 112.149 -162.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.41 31.05 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.689 2.395 . . . . 0.0 115.949 -175.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.02 100.36 1.22 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.735 2.414 . . . . 0.0 111.171 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 53.55 76.59 0.21 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.616 1.966 . . . . 0.0 112.56 -159.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.52 ' HA ' HD23 ' A' ' 16' ' ' LEU . 9.6 tp -65.61 131.59 31.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 125.864 1.666 . . . . 0.0 112.478 166.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.0 mm -124.79 -55.91 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 126.93 2.092 . . . . 0.0 107.542 -176.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.482 ' HE2' ' OD1' ' B' ' 53' ' ' ASP . 20.6 ttmt -143.93 147.06 33.43 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 118.979 0.809 . . . . 0.0 111.504 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.29 148.33 36.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.168 163.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 102.98 5.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 126.109 1.764 . . . . 0.0 108.68 -177.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.6 tt -110.15 132.18 54.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.476 1.91 . . . . 0.0 109.102 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.86 144.0 48.66 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 123.863 0.865 . . . . 0.0 109.372 165.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 148.56 51.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.294 -0.962 . . . . 0.0 110.145 153.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.9 m -113.04 130.07 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.209 0.528 . . . . 0.0 111.131 -167.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 C--O 1.251 1.164 0 C-N-CA 125.588 1.555 . . . . 0.0 111.564 -177.506 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.51 -0.583 0 CA-C-O 120.787 0.327 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.5 m -68.68 153.25 9.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-O 122.634 1.207 . . . . 0.0 111.86 -169.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -107.3 84.56 1.99 Allowed 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 113.085 -1.871 . . . . 0.0 107.202 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -89.31 -10.85 45.24 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.6 -1.182 . . . . 0.0 113.368 -168.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -94.56 -45.88 7.21 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.081 1.753 . . . . 0.0 111.222 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -99.17 68.78 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.271 1.428 . . . . 0.0 108.704 167.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -86.76 159.63 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.662 -169.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t0 73.64 -77.21 0.06 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 127.81 2.444 . . . . 0.0 114.441 165.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.94 174.66 10.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.879 0.872 . . . . 0.0 112.641 -172.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.587 ' CZ ' HD21 ' B' ' 33' ' ' LEU . 42.8 m-85 -46.14 145.5 1.59 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.026 2.13 . . . . 0.0 111.877 -163.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -81.93 149.79 28.04 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 121.822 -0.549 . . . . 0.0 110.56 154.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.1 t -135.55 87.83 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 125.765 1.626 . . . . 0.0 107.392 161.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 61.4 m -65.52 118.64 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 165.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 54.3 ttm -134.17 144.94 48.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 119.085 0.857 . . . . 0.0 110.556 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.36 130.25 30.38 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.115 173.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -119.72 165.45 14.51 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.272 1.429 . . . . 0.0 109.979 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -111.48 119.91 40.37 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.595 1.158 . . . . 0.0 110.303 169.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.451 ' HA ' ' OD1' ' B' ' 45' ' ' ASP . 7.9 p-10 -75.34 172.83 11.77 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.834 2.053 . . . . 0.0 112.658 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -60.76 -28.69 68.91 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.302 1.441 . . . . 0.0 113.805 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -90.82 -5.37 55.7 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.581 -0.699 . . . . 0.0 112.707 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.23 16.48 69.21 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.863 -0.965 . . . . 0.0 114.654 171.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -70.72 -33.21 70.62 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.773 1.286 . . . . 0.0 112.709 -172.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 67.77 133.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 128.188 2.595 . . . . 0.0 112.314 -170.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -138.62 152.91 48.53 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.424 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -137.0 137.98 40.01 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 126.547 1.939 . . . . 0.0 109.934 -164.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -154.58 145.53 22.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.406 0.622 . . . . 0.0 111.778 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -83.95 103.59 13.32 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.521 1.128 . . . . 0.0 109.913 166.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -94.66 82.3 3.93 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -113.23 167.89 10.18 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.241 1.016 . . . . 0.0 113.392 -168.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.43 35.95 69.01 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.895 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 pp -143.07 -173.51 3.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.809 1.243 . . . . 0.0 110.561 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -132.28 -175.58 3.79 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.26 -0.9 . . . . 0.0 113.147 -169.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.587 HD21 ' CZ ' ' B' ' 10' ' ' TYR . 3.8 mm? -74.28 -26.54 60.26 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 121.002 -1.061 . . . . 0.0 113.4 -166.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 37.7 p -74.12 -24.52 59.46 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.309 1.044 . . . . 0.0 112.541 167.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -81.0 -35.04 32.48 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.124 0.97 . . . . 0.0 111.07 174.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -58.33 -43.38 88.19 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.938 0.895 . . . . 0.0 111.667 164.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -56.92 -36.2 69.92 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.293 1.037 . . . . 0.0 112.423 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -68.22 -51.62 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 123.394 0.678 . . . . 0.0 110.731 171.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.52 -52.34 64.01 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.949 0.795 . . . . 0.0 112.382 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -67.73 -23.21 65.23 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.636 1.175 . . . . 0.0 113.192 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.37 -34.84 6.85 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.786 0.708 . . . . 0.0 114.379 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -96.86 -26.1 15.21 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -167.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 61.1 m -72.42 -33.9 67.44 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -167.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 59.5 -11.49 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.334 2.654 . . . . 0.0 117.665 172.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.451 ' OD1' ' HA ' ' B' ' 18' ' ' ASP . 23.0 m-20 -68.65 155.94 39.11 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.522 1.056 . . . . 0.0 111.143 166.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -72.66 127.23 31.92 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.945 0.498 . . . . 0.0 111.398 -168.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 tp -71.51 122.77 24.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 C-N-CA 124.692 1.197 . . . . 0.0 112.813 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 48.1 mm -114.75 -48.4 4.93 Favored 'Isoleucine or valine' 0 C--N 1.338 0.097 0 C-N-CA 127.204 2.202 . . . . 0.0 108.949 -176.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -146.6 145.37 30.06 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 123.564 0.746 . . . . 0.0 112.355 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 tp -150.16 122.39 8.36 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.682 1.593 . . . . 0.0 109.431 177.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -128.45 93.92 3.76 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 125.227 1.411 . . . . 0.0 109.591 173.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.7 tt -86.0 136.28 33.32 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.407 1.083 . . . . 0.0 109.691 171.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.482 ' OD1' ' HE2' ' A' ' 49' ' ' LYS . 30.1 t70 -152.28 111.73 3.92 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.795 0.838 . . . . 0.0 111.281 -172.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.504 ' HB2' ' CE2' ' B' ' 10' ' ' TYR . 28.2 tptp -60.05 104.15 0.28 Allowed 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 122.999 1.38 . . . . 0.0 110.281 163.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.5 m -57.84 165.57 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 112.069 -2.332 . . . . 0.0 111.424 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.248 1.016 0 C-N-CA 125.768 1.627 . . . . 0.0 112.855 179.542 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpt . . . . . 0 N--CA 1.47 0.525 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -63.25 162.06 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 123.28 1.514 . . . . 0.0 111.503 173.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.07 111.06 2.73 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 127.029 2.132 . . . . 0.0 108.231 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -146.28 -52.76 0.24 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.121 -1.399 . . . . 0.0 110.793 -171.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -146.51 23.31 1.28 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.15 0.58 . . . . 0.0 112.058 -175.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 56.62 43.66 25.18 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.022 1.729 . . . . 0.0 112.843 -166.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.2 t -65.56 98.37 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 124.558 1.143 . . . . 0.0 112.831 -169.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.505 ' H ' HG21 ' A' ' 55' ' ' VAL . 9.5 t0 -155.76 -73.89 0.11 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.25 2.22 . . . . 0.0 108.097 163.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 p -148.0 171.47 15.76 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.503 2.321 . . . . 0.0 108.861 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -48.35 154.66 0.59 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.76 1.624 . . . . 0.0 115.002 -158.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.78 108.04 12.58 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.614 1.966 . . . . 0.0 110.011 -171.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.57 HG22 HD13 ' A' ' 52' ' ' LEU . 24.9 t -101.28 140.23 20.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 124.6 1.16 . . . . 0.0 109.702 174.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.7 m -136.91 99.56 4.06 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.512 1.125 . . . . 0.0 108.195 166.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.5 mtm -98.66 166.93 11.1 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.347 168.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -151.58 151.51 31.64 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 122.467 1.127 . . . . 0.0 111.185 166.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -128.68 178.58 6.23 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 127.569 2.347 . . . . 0.0 108.955 -175.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -127.37 142.33 51.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.662 0.785 . . . . 0.0 110.508 173.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -139.32 -178.58 5.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.514 1.526 . . . . 0.0 110.392 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.1 t0 28.93 76.42 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 128.019 2.528 . . . . 0.0 114.322 156.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 t70 72.76 0.5 3.67 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.78 2.032 . . . . 0.0 114.297 171.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.13 4.68 5.44 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 125.11 1.338 . . . . 0.0 113.586 -177.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -60.14 107.29 0.62 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.821 1.648 . . . . 0.0 110.104 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -70.35 138.16 51.18 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 168.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -139.71 151.19 45.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.69 0.757 . . . . 0.0 111.278 171.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -103.06 152.36 21.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.988 -172.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -133.46 77.55 1.73 Allowed 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.569 1.948 . . . . 0.0 107.765 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -98.98 129.14 45.26 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.539 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -148.57 99.67 3.03 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 126.062 1.745 . . . . 0.0 108.608 -167.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.9 171.32 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.443 0.697 . . . . 0.0 111.897 174.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.56 40.16 54.58 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 123.583 0.611 . . . . 0.0 112.123 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.434 HD11 HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -139.02 -167.15 2.16 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.645 1.178 . . . . 0.0 110.407 -178.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -132.71 178.05 7.15 Favored 'General case' 0 C--O 1.232 0.175 0 O-C-N 120.824 -1.173 . . . . 0.0 112.712 -176.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.27 -37.25 79.89 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.285 -0.885 . . . . 0.0 113.245 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.9 m -70.72 -18.62 62.8 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -89.23 -34.18 16.72 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.498 1.119 . . . . 0.0 110.974 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -58.04 -44.05 87.18 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.852 -0.53 . . . . 0.0 111.355 166.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -57.55 -32.68 67.34 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.48 -48.08 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 122.986 0.514 . . . . 0.0 110.851 173.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.505 HD23 HG11 ' A' ' 12' ' ' VAL . 59.0 tp -59.8 -49.28 78.32 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.247 1.019 . . . . 0.0 111.468 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.82 -46.79 84.2 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.512 0.725 . . . . 0.0 111.213 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.69 -17.06 70.68 Favored Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.456 0.942 . . . . 0.0 115.456 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -110.36 -31.83 7.16 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.963 1.381 . . . . 0.0 113.772 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 m -126.22 -14.93 5.86 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -156.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.43 28.33 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.85 109.01 1.12 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.536 1.534 . . . . 0.0 112.289 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 52.97 42.85 32.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.863 1.665 . . . . 0.0 113.072 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.406 HG12 ' N ' ' A' ' 48' ' ' ILE . 6.5 tt -53.32 156.23 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 125.529 1.532 . . . . 0.0 115.129 -171.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.406 ' N ' HG12 ' A' ' 47' ' ' ILE . 45.3 mm -116.94 -64.42 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 C-N-CA 127.899 2.48 . . . . 0.0 108.527 -177.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -133.34 155.56 49.22 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 122.036 0.922 . . . . 0.0 112.131 175.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.87 120.46 8.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 113.075 -1.875 . . . . 0.0 108.789 173.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -106.72 139.21 41.51 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.369 1.467 . . . . 0.0 109.332 170.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.57 HD13 HG22 ' A' ' 12' ' ' VAL . 55.4 tp -134.48 146.43 49.76 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.347 1.059 . . . . 0.0 108.902 164.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.53 133.36 30.72 Favored 'General case' 0 C--O 1.241 0.605 0 C-N-CA 126.844 2.058 . . . . 0.0 107.106 177.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' NZ ' ' OXT' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -70.9 148.45 47.75 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 116.977 -1.889 . . . . 0.0 108.714 148.215 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.505 HG21 ' H ' ' A' ' 8' ' ' ASP . 27.0 m -99.78 136.14 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.553 -172.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' OXT' ' NZ ' ' A' ' 54' ' ' LYS . 29.0 tp . . . . . 0 C--O 1.249 1.034 0 C-N-CA 127.111 2.164 . . . . 0.0 113.67 -164.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.487 ' HA ' ' OD1' ' B' ' 5' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 118.809 -0.615 . . . . 0.0 109.687 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.452 HG13 ' H ' ' B' ' 3' ' ' GLN . 7.6 p -151.32 -61.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.338 0.098 0 O-C-N 124.326 1.016 . . . . 0.0 110.077 170.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.452 ' H ' HG13 ' B' ' 2' ' ' VAL . 12.8 tt0 -161.88 170.67 19.04 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.328 2.251 . . . . 0.0 108.582 164.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 61.4 17.83 8.74 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.97 2.108 . . . . 0.0 113.474 -172.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ASP . . . . . 0.487 ' OD1' ' HA ' ' B' ' 1' ' ' MET . 22.4 m-20 -73.93 -58.71 3.12 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.53 1.132 . . . . 0.0 112.344 -169.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -112.16 8.72 20.03 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.114 1.365 . . . . 0.0 112.476 -175.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 p 3.5 83.21 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.439 1 C-N-CA 132.7 4.4 . . . . 0.0 116.18 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -157.28 -54.52 0.08 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 122.052 0.93 . . . . 0.0 111.363 169.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.7 m -140.39 -174.88 4.07 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.943 1.697 . . . . 0.0 110.528 -170.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -63.07 148.06 48.94 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.193 0.521 . . . . 0.0 110.048 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -99.43 155.19 17.67 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 152.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.5 t -128.03 89.37 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.744 1.218 . . . . 0.0 108.097 163.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 3.7 m -64.94 128.96 37.92 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 165.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.5 ttm -143.14 146.1 33.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 122.107 0.956 . . . . 0.0 111.764 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -125.29 112.88 16.89 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 126.389 1.876 . . . . 0.0 109.447 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.56 165.32 11.9 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 113.955 -1.475 . . . . 0.0 109.803 176.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -119.59 121.5 39.46 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.745 1.218 . . . . 0.0 109.227 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.77 163.36 14.26 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 122.408 1.099 . . . . 0.0 110.599 175.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -32.36 67.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.038 1.735 . . . . 0.0 113.021 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -75.76 -7.3 54.07 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.09 0.556 . . . . 0.0 112.228 174.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.36 3.25 63.26 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.433 1.492 . . . . 0.0 113.694 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -77.98 119.9 22.07 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 118.182 0.991 . . . . 0.0 110.663 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -82.46 132.12 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.536 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -134.55 125.13 26.67 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 122.255 1.026 . . . . 0.0 112.139 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -98.99 130.06 45.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 126.223 1.809 . . . . 0.0 110.302 -172.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -141.01 139.71 34.19 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.642 0.777 . . . . 0.0 111.749 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.18 133.85 33.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.366 159.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -119.9 76.07 1.13 Allowed 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 122.178 0.99 . . . . 0.0 108.497 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -77.9 161.41 27.6 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.762 1.625 . . . . 0.0 111.196 -175.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.79 30.73 63.33 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.797 -0.638 . . . . 0.0 113.101 171.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 16.0 mt -115.96 -179.05 3.55 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.835 1.254 . . . . 0.0 111.847 -171.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 13.3 p -134.33 179.39 6.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.412 -0.805 . . . . 0.0 111.148 171.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.61 -34.24 75.29 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -66.83 -26.73 67.06 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 173.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -87.64 -29.42 21.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.378 1.071 . . . . 0.0 111.574 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -58.83 -44.73 90.99 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.565 -0.709 . . . . 0.0 111.049 165.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.38 -27.88 67.76 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 175.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.74 -53.96 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 118.419 0.554 . . . . 0.0 110.348 171.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.99 -53.59 56.65 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.097 0.408 . . . . 0.0 111.396 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.53 -53.35 58.51 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.02 0.928 . . . . 0.0 111.269 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.92 -24.05 69.79 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-O 119.25 -0.75 . . . . 0.0 114.895 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -98.25 -26.41 14.54 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.409 1.104 . . . . 0.0 113.118 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.0 -14.38 6.09 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -155.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.31 24.6 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -168.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -79.05 98.08 6.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.434 1.894 . . . . 0.0 111.184 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 62.01 52.4 3.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.566 1.947 . . . . 0.0 112.444 -164.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.86 129.39 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.136 160.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.8 mm -105.7 -49.03 8.99 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 C-N-CA 124.221 1.009 . . . . 0.0 109.405 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -142.66 156.26 45.03 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.789 0.836 . . . . 0.0 111.3 171.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 pp -148.05 157.37 43.47 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.256 0.551 . . . . 0.0 110.867 155.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -143.38 94.42 2.61 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 127.086 2.154 . . . . 0.0 107.866 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tt -81.14 139.93 35.31 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.852 0.861 . . . . 0.0 109.636 167.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -148.82 122.16 9.02 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.988 0.915 . . . . 0.0 110.235 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -65.56 92.15 0.14 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 122.32 1.057 . . . . 0.0 108.301 160.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.37 -0.65 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 -159.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.254 1.308 0 C-N-CA 129.26 3.024 . . . . 0.0 112.971 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 tpt . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.5 m -135.61 170.59 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 C-N-CA 126.386 1.875 . . . . 0.0 108.489 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -60.01 99.31 0.07 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.188 1.395 . . . . 0.0 110.244 168.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -127.19 -40.91 1.8 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -168.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -130.82 38.08 3.73 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.88 1.272 . . . . 0.0 109.091 -169.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 t80 67.1 -13.05 0.21 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.905 2.482 . . . . 0.0 113.985 -163.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 t -88.0 100.76 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 119.66 1.118 . . . . 0.0 112.988 -173.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -141.77 -66.18 0.41 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.084 0.954 . . . . 0.0 111.489 163.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -146.24 177.76 8.76 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.899 0.88 . . . . 0.0 112.219 171.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 54' ' ' LYS . 38.7 m-85 -50.23 149.31 2.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.713 1.605 . . . . 0.0 113.787 -163.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -87.73 140.63 29.31 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.112 0.965 . . . . 0.0 110.276 163.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 t -135.32 85.57 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.833 1.653 . . . . 0.0 107.726 164.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.5 m -77.76 116.58 18.39 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 2.9 tpp -127.58 155.52 43.72 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.485 0.66 . . . . 0.0 110.236 -170.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' N ' ' HG3' ' A' ' 14' ' ' MET . 3.2 pp -135.06 144.79 47.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.786 0.834 . . . . 0.0 111.918 158.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.82 155.55 42.43 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.947 1.699 . . . . 0.0 109.641 -168.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -69.84 123.89 22.62 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.221 0.534 . . . . 0.0 111.721 175.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -71.7 164.71 25.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.525 1.93 . . . . 0.0 111.907 168.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -53.63 -34.95 60.3 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.867 1.267 . . . . 0.0 113.21 169.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.74 -3.6 26.23 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.603 1.161 . . . . 0.0 113.268 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.47 1.61 80.73 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.26 1.41 . . . . 0.0 114.455 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -92.03 147.61 22.82 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 118.672 1.236 . . . . 0.0 111.671 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -73.86 113.04 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 123.624 0.77 . . . . 0.0 109.14 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -105.27 140.84 37.81 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.648 0.737 . . . . 0.0 110.048 174.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -97.74 135.68 39.18 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 126.807 2.043 . . . . 0.0 110.503 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -151.03 125.66 9.6 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.105 0.955 . . . . 0.0 112.203 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -69.64 134.95 49.32 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.326 168.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -130.8 79.85 1.92 Allowed 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 124.064 0.946 . . . . 0.0 108.508 167.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.7 164.21 13.99 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.165 0.986 . . . . 0.0 111.498 -176.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.31 36.76 59.5 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 pp -138.56 170.86 15.26 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 125.834 1.653 . . . . 0.0 109.884 175.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.1 p -114.75 178.57 4.23 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -170.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.96 -25.53 64.59 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.615 -1.303 . . . . 0.0 114.189 -169.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.6 p -75.12 -27.27 59.74 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.646 0.779 . . . . 0.0 112.799 169.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -76.89 -33.73 57.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.51 1.124 . . . . 0.0 110.91 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -60.02 -43.09 95.49 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.255 1.022 . . . . 0.0 112.033 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -55.21 -38.56 68.58 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 172.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.98 -44.99 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 123.892 0.877 . . . . 0.0 110.821 175.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.48 -52.49 65.43 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.03 0.832 . . . . 0.0 111.444 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -57.81 -47.21 83.26 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.545 0.738 . . . . 0.0 111.458 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.12 -24.97 63.8 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.048 1.309 . . . . 0.0 115.219 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -95.5 -1.01 51.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.847 1.259 . . . . 0.0 114.039 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.1 p -53.88 -53.72 48.59 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.12 0.873 . . . . 0.0 112.984 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.37 -5.51 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 128.877 2.871 . . . . 0.0 117.832 170.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -130.93 -177.84 4.55 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 128.204 2.602 . . . . 0.0 111.116 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.03 88.34 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.967 1.307 . . . . 0.0 113.514 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 tp -65.5 122.17 15.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 129.093 2.957 . . . . 0.0 110.864 168.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.3 mm -114.18 -66.47 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 C-N-CA 126.252 1.821 . . . . 0.0 109.029 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -133.23 138.79 46.65 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.333 1.424 . . . . 0.0 113.067 -170.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 tt -146.67 119.93 8.94 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.245 2.218 . . . . 0.0 108.571 -170.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -126.44 91.7 3.41 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.699 1.6 . . . . 0.0 110.188 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 tt -82.79 138.14 34.09 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.824 0.85 . . . . 0.0 110.146 168.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -152.01 118.88 5.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.323 1.449 . . . . 0.0 109.458 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -60.9 144.4 53.03 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-O 121.874 0.845 . . . . 0.0 111.613 173.312 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m -89.11 142.27 13.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.396 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 C--O 1.25 1.083 0 C-N-CA 127.424 2.29 . . . . 0.0 112.629 -167.45 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.2 tpp . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -95.61 -38.64 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.619 0.768 . . . . 0.0 110.383 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -71.76 86.4 0.95 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.12 1.368 . . . . 0.0 111.399 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -71.47 -21.64 61.92 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.264 1.426 . . . . 0.0 113.029 174.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -141.92 153.54 44.44 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.609 1.963 . . . . 0.0 108.223 171.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.573 ' CZ ' ' HE2' ' B' ' 29' ' ' LYS . 96.2 m-85 42.31 62.32 1.72 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.714 1.245 . . . . 0.0 111.319 -159.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.3 p -70.88 153.11 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.535 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -56.88 143.83 35.84 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 123.041 1.401 . . . . 0.0 110.87 172.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.4 m 138.1 -174.91 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.971 2.908 . . . . 0.0 111.205 -144.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -94.52 162.28 13.87 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.179 1.392 . . . . 0.0 109.82 151.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -126.73 126.31 43.26 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 128.198 2.599 . . . . 0.0 107.945 173.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -126.24 97.27 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 C-N-CA 124.546 1.139 . . . . 0.0 109.841 -171.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 10.2 m -90.03 94.39 9.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.233 1.013 . . . . 0.0 108.496 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 54.2 ttm -94.05 154.24 17.73 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.633 0.73 . . . . 0.0 109.954 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -147.3 113.76 5.97 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.705 1.202 . . . . 0.0 109.898 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.42 -173.66 2.35 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.544 1.138 . . . . 0.0 110.421 173.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -118.07 134.14 55.26 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.705 1.202 . . . . 0.0 110.48 167.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.51 161.07 30.79 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.478 1.911 . . . . 0.0 111.461 173.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -55.21 -29.67 58.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.214 1.406 . . . . 0.0 113.105 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -71.89 -3.15 20.78 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.97 0.908 . . . . 0.0 113.357 174.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.02 13.9 78.33 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.266 1.412 . . . . 0.0 113.693 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -107.34 152.15 24.53 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.63 1.572 . . . . 0.0 110.736 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -68.76 152.22 45.61 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 122.023 0.916 . . . . 0.0 112.87 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -136.85 92.46 2.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.644 1.977 . . . . 0.0 108.594 -163.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -81.37 127.63 32.96 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.558 1.943 . . . . 0.0 111.645 -169.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -132.8 79.97 1.87 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.095 1.758 . . . . 0.0 108.589 -173.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -83.47 131.28 35.03 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 111.426 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -140.48 82.11 1.84 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.877 1.271 . . . . 0.0 111.066 -176.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.573 ' HE2' ' CZ ' ' B' ' 6' ' ' PHE . 90.5 mttt -69.49 166.15 19.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.027 1.331 . . . . 0.0 110.193 166.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.23 26.22 72.66 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.081 -0.844 . . . . 0.0 114.633 159.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.06 -172.75 2.96 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.103 0.961 . . . . 0.0 111.849 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.4 p -127.95 176.97 7.18 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -173.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.21 -42.25 76.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.955 0.902 . . . . 0.0 112.792 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 26.6 m -67.14 -30.7 70.76 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.55 -0.719 . . . . 0.0 112.775 176.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.88 -34.87 57.74 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.748 0.819 . . . . 0.0 111.2 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -58.72 -44.92 90.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.703 1.201 . . . . 0.0 111.82 169.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -57.92 -38.23 75.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.344 0.657 . . . . 0.0 112.053 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -66.41 -49.61 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.144 0.578 . . . . 0.0 111.2 171.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 tp -52.65 -54.92 26.65 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.969 0.908 . . . . 0.0 111.144 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.84 -50.34 73.63 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.421 1.088 . . . . 0.0 111.501 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.09 -17.88 56.42 Favored Glycine 0 CA--C 1.534 1.263 0 N-CA-C 115.537 0.975 . . . . 0.0 115.537 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -111.52 -19.45 12.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.844 1.258 . . . . 0.0 113.875 -175.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.49 -13.44 2.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -161.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.56 48.48 0.19 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -172.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.36 98.0 11.52 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.528 1.531 . . . . 0.0 111.392 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 64.62 71.52 0.46 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.563 1.945 . . . . 0.0 111.625 -172.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tt -72.94 137.56 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.412 1.485 . . . . 0.0 113.616 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 37.8 mm -120.01 -58.09 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 129.562 3.145 . . . . 0.0 108.037 -175.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -137.02 160.4 39.04 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.538 1.063 . . . . 0.0 112.751 174.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tt -151.33 113.01 4.43 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.761 1.225 . . . . 0.0 109.306 173.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 94.02 4.72 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 123.982 0.913 . . . . 0.0 109.805 176.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tt -92.53 132.42 36.84 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.35 0.66 . . . . 0.0 109.271 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -146.41 120.58 9.5 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.092 1.357 . . . . 0.0 110.709 -174.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -61.13 113.3 2.5 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 121.175 -0.953 . . . . 0.0 110.153 165.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.6 t -74.37 152.56 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.245 0.845 0 C-N-CA 125.834 1.654 . . . . 0.0 112.854 -171.285 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 mtt . . . . . 0 CA--C 1.498 -1.03 0 CA-C-O 120.37 0.128 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.0 m 47.08 177.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 124.154 1.93 . . . . 0.0 112.753 -170.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -79.26 38.75 0.37 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 120.794 -1.191 . . . . 0.0 113.791 -175.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -93.36 -34.89 13.3 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.163 1.385 . . . . 0.0 109.911 165.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.75 -66.5 0.3 Allowed 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.86 0.864 . . . . 0.0 111.091 -174.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -125.15 89.98 3.15 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 127.454 2.302 . . . . 0.0 108.835 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.83 146.8 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.208 171.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.1 132.49 53.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 123.625 1.679 . . . . 0.0 113.023 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m 154.6 -175.22 0.0 OUTLIER 'General case' 0 C--O 1.237 0.421 0 C-N-CA 128.893 2.877 . . . . 0.0 108.214 -154.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -98.55 158.4 15.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 122.414 1.102 . . . . 0.0 111.217 156.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -106.39 148.8 27.66 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.628 1.571 . . . . 0.0 108.145 160.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t -130.21 90.22 1.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 124.523 1.129 . . . . 0.0 108.486 168.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.0 m -75.57 105.42 6.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 170.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 58.3 ttm -125.2 150.24 47.18 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.619 0.768 . . . . 0.0 111.332 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 1.2 tt -135.77 117.07 14.59 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.655 1.182 . . . . 0.0 111.024 -172.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -116.29 172.29 7.28 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 126.261 1.825 . . . . 0.0 110.86 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -131.04 139.74 49.98 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.435 1.094 . . . . 0.0 110.162 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -152.8 -176.83 5.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.566 0.747 . . . . 0.0 110.252 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 36.22 75.23 0.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.42 2.688 . . . . 0.0 112.918 163.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t70 78.92 -3.32 2.22 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.024 2.129 . . . . 0.0 113.903 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.74 11.01 10.64 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.738 1.161 . . . . 0.0 113.68 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -67.05 102.96 1.07 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.449 1.5 . . . . 0.0 109.423 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -77.81 139.53 39.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.36 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -140.34 133.91 30.18 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.717 0.77 . . . . 0.0 111.645 -175.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.406 ' CZ ' HD12 ' A' ' 15' ' ' LEU . 7.1 m-85 -80.82 151.29 28.79 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.675 169.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -138.2 152.02 48.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.788 1.235 . . . . 0.0 109.956 153.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -120.09 81.55 1.76 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.239 1.416 . . . . 0.0 109.145 -169.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -85.18 71.11 10.92 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.284 0.564 . . . . 0.0 110.754 -168.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -66.45 160.55 24.69 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.788 1.235 . . . . 0.0 111.201 171.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.75 22.26 77.32 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.984 170.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 mt -105.63 -178.58 3.69 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.739 1.216 . . . . 0.0 111.777 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 p -132.44 177.25 7.74 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.73 1.212 . . . . 0.0 111.166 170.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.29 -33.21 75.01 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.279 -0.888 . . . . 0.0 112.978 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.3 m -69.23 -22.54 63.86 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 173.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -89.32 -31.25 17.9 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.388 1.075 . . . . 0.0 111.246 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -58.43 -43.81 88.88 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.617 -0.677 . . . . 0.0 111.102 164.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -56.78 -32.99 66.19 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.358 0.874 . . . . 0.0 113.358 173.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.7 t -68.84 -52.72 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 118.323 0.51 . . . . 0.0 110.396 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.02 -48.58 79.63 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.305 0.502 . . . . 0.0 111.238 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -61.25 -39.98 92.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.436 1.095 . . . . 0.0 112.758 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.47 -12.89 77.45 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 118.866 -0.963 . . . . 0.0 115.215 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -118.24 -28.83 5.7 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.665 1.233 . . . . 0.0 113.501 -174.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -126.25 -24.11 3.74 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -162.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.41 31.55 0.06 Allowed 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -175.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -57.58 -50.61 72.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.378 1.871 . . . . 0.0 113.509 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -122.7 51.76 1.38 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.483 1.513 . . . . 0.0 109.503 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 tp -60.1 126.5 17.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 126.046 1.738 . . . . 0.0 112.757 -172.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mm -110.22 -54.21 5.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.153 0 C-N-CA 127.274 2.23 . . . . 0.0 108.337 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -140.46 154.79 46.76 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 123.641 0.776 . . . . 0.0 111.226 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.41 149.14 34.19 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.946 155.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 ttp-105 -139.72 99.16 3.64 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.472 1.909 . . . . 0.0 108.26 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -99.1 141.17 32.2 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.184 174.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -149.21 124.47 10.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.8 -169.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 112.29 5.92 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 160.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.22 161.35 4.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 122.46 1.124 . . . . 0.0 112.896 -156.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--O 1.254 1.301 0 C-N-CA 126.702 2.001 . . . . 0.0 111.135 168.506 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.2 t -123.84 158.45 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 126.17 1.788 . . . . 0.0 107.766 175.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -52.45 133.06 35.5 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.137 1.375 . . . . 0.0 112.619 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -145.48 1.87 0.94 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -174.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -100.39 -41.52 6.99 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.032 0.933 . . . . 0.0 111.761 -172.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -71.32 3.36 3.75 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.861 1.264 . . . . 0.0 113.926 170.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -14.6 83.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.454 1 C-N-CA 132.26 4.224 . . . . 0.0 116.0 -170.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -151.28 -76.81 0.14 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.116 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.7 t -168.12 -178.09 3.56 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.114 2.166 . . . . 0.0 108.874 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -39.33 128.3 1.81 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.5 1.92 . . . . 0.0 114.667 -161.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -97.91 94.82 7.1 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 126.606 1.963 . . . . 0.0 109.208 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.88 131.29 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 167.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 91.4 m -134.02 92.79 3.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.715 -1.216 . . . . 0.0 107.715 173.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.2 ttp -112.89 162.65 15.58 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.502 1.121 . . . . 0.0 109.862 -175.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -150.43 156.67 41.91 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 122.109 0.957 . . . . 0.0 111.373 167.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.84 175.67 7.49 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.007 1.723 . . . . 0.0 109.893 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -126.71 134.06 50.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.571 1.148 . . . . 0.0 109.521 171.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -72.83 160.03 32.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.404 1.481 . . . . 0.0 110.94 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.18 -27.07 68.15 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.782 0.833 . . . . 0.0 112.289 168.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.47 -7.06 45.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.901 1.28 . . . . 0.0 112.973 171.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.66 1.58 73.84 Favored Glycine 0 C--N 1.341 0.837 0 C-N-CA 124.643 1.116 . . . . 0.0 114.718 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 pttm -91.11 146.0 24.21 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.452 1.126 . . . . 0.0 110.937 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -85.27 149.47 25.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.867 174.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -143.85 142.26 30.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.683 0.754 . . . . 0.0 110.923 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -96.16 153.94 17.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 122.558 1.17 . . . . 0.0 112.738 -169.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -136.86 70.06 1.41 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.086 2.554 . . . . 0.0 107.878 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -83.93 116.51 22.82 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.346 1.458 . . . . 0.0 109.8 172.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -144.93 91.36 2.15 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.829 1.652 . . . . 0.0 110.13 -174.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.46 169.35 9.97 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 170.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.76 36.7 66.54 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 123.189 0.423 . . . . 0.0 113.141 176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.12 -164.74 1.54 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.145 0.978 . . . . 0.0 109.977 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.9 p -137.82 -178.54 5.3 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.774 -1.204 . . . . 0.0 112.943 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.96 -35.71 81.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.297 -0.877 . . . . 0.0 112.395 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 45.2 m -72.95 -18.71 61.35 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.812 0.845 . . . . 0.0 113.196 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -86.43 -37.38 18.39 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.453 1.101 . . . . 0.0 110.566 172.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -59.6 -41.31 90.06 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.564 -0.71 . . . . 0.0 111.552 166.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.43 -39.65 73.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.341 1.056 . . . . 0.0 112.212 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.04 -51.99 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.27 1.028 . . . . 0.0 109.927 172.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.58 -50.47 70.0 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.944 0.898 . . . . 0.0 112.25 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -57.55 -53.8 54.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.555 1.142 . . . . 0.0 110.594 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.24 -22.83 61.34 Favored Glycine 0 CA--C 1.534 1.269 0 N-CA-C 115.036 0.774 . . . . 0.0 115.036 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -89.57 -19.97 24.33 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.389 1.095 . . . . 0.0 112.786 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -125.96 -27.75 3.27 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -161.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.75 65.35 1.88 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.806 1.242 . . . . 0.0 113.612 -169.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.31 -64.89 0.76 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.285 1.034 . . . . 0.0 109.966 165.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -117.05 178.68 4.27 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 148.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -121.27 154.87 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 163.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.8 mm -109.44 -61.79 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -136.51 147.79 47.3 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.508 1.123 . . . . 0.0 110.559 172.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 tp -149.53 104.88 3.4 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.941 1.296 . . . . 0.0 108.937 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.1 145.15 26.84 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.859 0.864 . . . . 0.0 110.059 168.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 tt -143.54 136.76 27.9 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.996 1.318 . . . . 0.0 108.59 164.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.84 142.89 49.19 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 124.564 1.146 . . . . 0.0 108.382 169.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.4 ' HE3' ' OXT' ' B' ' 56' ' ' LEU . 18.2 ptmt -63.32 153.27 35.47 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 119.389 -0.924 . . . . 0.0 111.871 161.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.6 t -136.15 8.71 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 123.255 1.502 . . . . 0.0 113.382 172.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.4 ' OXT' ' HE3' ' B' ' 54' ' ' LYS . 63.5 tp . . . . . 0 C--O 1.251 1.174 0 C-N-CA 131.25 3.82 . . . . 0.0 109.121 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.461 0.11 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -72.94 158.11 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 123.57 0.748 . . . . 0.0 112.376 173.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 46.72 52.52 11.18 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.925 1.69 . . . . 0.0 112.683 175.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -58.48 -41.14 84.62 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.206 1.402 . . . . 0.0 114.431 -165.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -99.73 -6.33 27.26 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -175.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.3 t80 49.25 54.32 11.15 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.936 1.35 . . . . 0.0 110.546 -165.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.05 164.32 2.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 113.153 -1.84 . . . . 0.0 113.818 -152.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.64 163.61 18.56 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.588 1.155 . . . . 0.0 113.842 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.6 m 78.67 165.09 0.21 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.693 2.797 . . . . 0.0 111.816 -162.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -47.0 144.09 2.68 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.949 2.1 . . . . 0.0 113.565 -155.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -89.99 122.14 32.72 Favored 'General case' 0 C--O 1.231 0.081 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 165.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.3 t -106.82 135.41 45.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 158.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 m -137.44 102.29 4.74 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.0 tmm? -115.55 161.34 18.76 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.921 0.889 . . . . 0.0 109.803 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -155.1 153.26 30.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 122.191 0.996 . . . . 0.0 111.134 174.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 43' ' ' THR . 88.3 mt -140.68 173.85 11.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 126.21 1.804 . . . . 0.0 109.071 -174.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -109.52 131.81 54.72 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 122.046 0.927 . . . . 0.0 110.478 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.14 164.03 26.04 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.862 1.665 . . . . 0.0 111.03 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.92 -31.55 66.9 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.155 0.982 . . . . 0.0 113.172 173.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -74.75 -2.92 28.62 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.469 0.652 . . . . 0.0 112.542 175.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.7 8.72 79.56 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.245 1.403 . . . . 0.0 113.533 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -89.03 152.52 21.64 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.648 1.179 . . . . 0.0 111.164 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -89.52 135.66 33.47 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.097 173.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -122.37 146.82 46.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.651 0.78 . . . . 0.0 109.834 171.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -97.68 160.5 14.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.618 -174.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -147.54 69.26 1.14 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.01 2.124 . . . . 0.0 107.558 -171.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -73.57 133.78 43.61 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.079 1.752 . . . . 0.0 111.05 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -148.96 83.24 1.45 Allowed 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 125.472 1.509 . . . . 0.0 110.661 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.49 ' HE2' HG11 ' A' ' 55' ' ' VAL . 60.2 tttm -88.75 155.73 19.39 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.845 0.355 . . . . 0.0 111.507 168.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.5 33.8 9.95 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.917 -0.583 . . . . 0.0 113.759 170.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.38 -166.09 1.79 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.647 1.179 . . . . 0.0 110.194 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.0 p -135.83 -179.83 5.9 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.137 -0.977 . . . . 0.0 113.249 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.57 -36.02 81.35 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.596 -0.69 . . . . 0.0 112.618 -175.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.4 m -68.81 -22.38 64.26 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 173.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -85.65 -30.43 23.23 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.297 1.039 . . . . 0.0 111.08 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -62.13 -38.65 89.73 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.314 -0.867 . . . . 0.0 112.045 168.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -56.55 -37.12 70.08 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.187 0.903 . . . . 0.0 112.643 172.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.7 t -68.8 -48.54 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 123.792 0.837 . . . . 0.0 110.749 175.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.97 -53.13 61.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.557 1.143 . . . . 0.0 111.72 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -61.41 -44.02 97.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.688 0.795 . . . . 0.0 111.594 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.99 -25.07 70.6 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.645 0.641 . . . . 0.0 114.221 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -78.86 -21.9 46.83 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.405 1.102 . . . . 0.0 113.272 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.48 HG23 HD11 ' A' ' 16' ' ' LEU . 63.8 m -55.87 -62.02 1.98 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.57 1.548 . . . . 0.0 113.29 -170.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 48.29 35.9 6.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.855 1.662 . . . . 0.0 114.836 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -141.41 20.99 2.22 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.297 1.039 . . . . 0.0 112.094 -171.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 62.01 7.91 2.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.365 2.266 . . . . 0.0 116.361 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm 63.34 152.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 127.598 2.359 . . . . 0.0 113.351 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.4 mm -113.61 -59.33 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 CA-C-N 114.59 -1.186 . . . . 0.0 107.936 162.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -149.94 147.71 28.22 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 120.899 0.38 . . . . 0.0 111.272 171.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 pp -136.63 158.09 45.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.622 0.725 . . . . 0.0 111.475 163.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -135.27 145.42 47.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 127.884 2.474 . . . . 0.0 108.542 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 tt -140.62 144.68 35.91 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.519 1.128 . . . . 0.0 108.761 166.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -150.95 122.07 7.72 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.042 1.337 . . . . 0.0 108.487 -173.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 133.44 48.19 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 122.413 1.101 . . . . 0.0 110.229 165.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.49 HG11 ' HE2' ' A' ' 29' ' ' LYS . 33.3 m -105.33 158.65 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.23 -167.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.6 tp . . . . . 0 C--O 1.253 1.271 0 CA-C-N 112.125 -2.307 . . . . 0.0 111.395 172.713 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tmm? . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.48 -32.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 124.868 1.355 . . . . 0.0 111.916 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -85.69 84.42 7.59 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.419 1.087 . . . . 0.0 110.431 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -79.27 -9.27 59.54 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.525 -1.216 . . . . 0.0 112.713 173.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -78.81 -32.82 46.45 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.422 1.489 . . . . 0.0 112.666 -174.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -139.95 81.19 1.81 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 126.411 1.885 . . . . 0.0 106.93 167.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -81.07 52.03 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 124.376 1.071 . . . . 0.0 112.693 -167.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.401 ' CG ' ' H ' ' B' ' 9' ' ' SER . 23.5 t70 65.42 170.86 0.21 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 127.718 2.407 . . . . 0.0 114.17 -170.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.401 ' H ' ' CG ' ' B' ' 8' ' ' ASP . 20.2 m 64.73 162.43 0.13 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.969 2.508 . . . . 0.0 113.339 -173.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -60.69 159.9 10.12 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.258 1.023 . . . . 0.0 112.127 -169.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -117.79 142.5 47.21 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.364 1.466 . . . . 0.0 109.45 171.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t -123.85 92.97 2.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 C-N-CA 126.338 1.855 . . . . 0.0 108.01 175.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 21.2 m -85.04 105.26 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.318 1.047 . . . . 0.0 108.485 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 4.0 mmt -114.3 150.15 34.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 125.388 1.475 . . . . 0.0 111.608 -169.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.31 113.64 8.51 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.074 0.95 . . . . 0.0 110.435 174.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.72 173.2 8.71 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.708 1.603 . . . . 0.0 109.921 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -116.86 130.35 56.65 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.593 0.757 . . . . 0.0 110.194 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -76.9 165.16 25.06 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.17 0.988 . . . . 0.0 111.849 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -57.38 -28.62 63.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.426 1.49 . . . . 0.0 113.839 173.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.53 -10.46 59.81 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.857 1.263 . . . . 0.0 112.862 172.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.78 3.69 73.68 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.997 1.284 . . . . 0.0 113.365 -175.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -80.16 117.39 20.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.068 1.347 . . . . 0.0 109.826 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -76.39 127.45 32.88 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 169.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -132.47 131.1 41.34 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.86 0.838 . . . . 0.0 111.358 -175.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -75.35 149.87 38.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.01 165.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -149.11 147.14 28.13 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.52 0.728 . . . . 0.0 110.521 160.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -115.31 86.93 2.55 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.714 1.606 . . . . 0.0 108.983 -168.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -85.93 85.3 7.38 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -86.27 164.6 17.05 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 125.06 1.344 . . . . 0.0 112.066 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.39 36.48 55.01 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.168 0.889 . . . . 0.0 113.661 166.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.38 -161.35 1.17 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.716 0.806 . . . . 0.0 111.108 -173.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 51.7 p -143.02 -176.59 4.97 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.086 -1.009 . . . . 0.0 112.94 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.2 -34.91 79.49 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -174.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.0 p -68.07 -25.24 65.24 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.277 -0.889 . . . . 0.0 112.684 173.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -80.93 -29.97 35.37 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.1 0.96 . . . . 0.0 112.211 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -59.28 -46.59 88.12 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.503 -0.748 . . . . 0.0 111.193 165.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.92 -27.73 69.02 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.475 0.71 . . . . 0.0 112.772 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.34 -51.37 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.756 170.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -54.39 47.11 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.36 0.982 . . . . 0.0 110.347 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -61.18 -41.42 96.76 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.386 1.074 . . . . 0.0 112.413 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.74 -36.03 30.25 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 124.014 0.816 . . . . 0.0 114.021 -174.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -79.47 -29.8 41.87 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.093 0.946 . . . . 0.0 111.63 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 58.2 m -65.66 -50.37 65.18 Favored 'General case' 0 C--O 1.227 -0.092 0 C-N-CA 123.37 0.668 . . . . 0.0 111.472 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 47.13 39.07 7.53 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.903 1.681 . . . . 0.0 114.779 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -126.93 165.32 19.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.255 1.022 . . . . 0.0 110.45 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.88 110.37 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 123.115 1.436 . . . . 0.0 111.144 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.92 148.74 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 113.978 -1.465 . . . . 0.0 110.824 -177.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -101.25 -59.91 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -139.25 155.05 48.03 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.682 0.793 . . . . 0.0 110.298 165.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 pp -147.06 165.79 28.84 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.689 0.757 . . . . 0.0 111.791 159.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -141.95 161.42 38.02 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.524 1.93 . . . . 0.0 110.402 168.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.7 tp -139.46 135.84 33.98 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 126.103 1.761 . . . . 0.0 106.257 158.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -143.36 115.35 8.32 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.543 1.137 . . . . 0.0 108.854 -167.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.79 113.63 12.29 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 167.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.12 151.64 8.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 114.085 -1.416 . . . . 0.0 111.981 -159.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-N 112.825 -1.988 . . . . 0.0 114.368 -172.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 CA--C 1.54 0.592 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -149.35 -174.49 4.68 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 128.749 2.819 . . . . 0.0 109.308 -169.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -45.35 126.57 6.54 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.542 1.537 . . . . 0.0 113.086 -168.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.25 127.37 31.97 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.883 0.873 . . . . 0.0 109.27 168.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -126.62 129.01 71.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 125.331 1.453 . . . . 0.0 108.335 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 m -136.82 102.82 5.0 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -174.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.4 mtm -108.52 165.28 11.64 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.482 0.658 . . . . 0.0 112.574 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -145.72 118.98 8.91 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 127.003 2.121 . . . . 0.0 109.146 -176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -126.1 160.3 30.51 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.051 0.94 . . . . 0.0 109.893 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -102.6 128.0 49.46 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.54 0.736 . . . . 0.0 111.734 -171.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -75.21 163.37 27.59 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.427 1.091 . . . . 0.0 112.332 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -58.02 -25.07 60.67 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.517 1.127 . . . . 0.0 113.176 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.35 -9.85 37.3 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.68 14.63 69.94 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 124.89 1.234 . . . . 0.0 113.674 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -121.65 157.84 29.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 125.162 1.385 . . . . 0.0 111.072 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.0 150.75 24.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.504 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -128.62 146.97 50.71 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.901 1.68 . . . . 0.0 109.67 167.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -85.9 156.09 20.66 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.993 0.917 . . . . 0.0 113.01 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -132.07 77.34 1.75 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.442 2.297 . . . . 0.0 107.69 164.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -73.68 127.17 32.04 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.456 1.103 . . . . 0.0 110.634 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -144.72 94.5 2.56 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.719 1.608 . . . . 0.0 110.137 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -79.54 162.72 25.2 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.058 -0.401 . . . . 0.0 110.332 168.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.49 33.2 72.01 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-O 119.451 -0.638 . . . . 0.0 113.75 172.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.23 -176.16 3.14 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 122.175 0.988 . . . . 0.0 110.586 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.4 p -132.51 175.73 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 124.186 0.994 . . . . 0.0 110.498 165.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.489 HD11 HG21 ' B' ' 47' ' ' ILE . 11.9 mt -60.13 -35.52 75.47 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.659 -0.651 . . . . 0.0 112.133 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.2 m -67.83 -35.41 78.55 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.811 -0.556 . . . . 0.0 112.138 174.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -74.96 -31.43 61.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.537 0.735 . . . . 0.0 111.788 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -59.12 -46.32 88.63 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.679 0.792 . . . . 0.0 111.624 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -56.96 -39.03 73.83 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.536 0.607 . . . . 0.0 112.18 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.45 -53.74 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 122.803 0.441 . . . . 0.0 110.492 172.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.06 -51.42 69.37 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.689 0.677 . . . . 0.0 112.161 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -60.47 -36.6 78.67 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.105 1.362 . . . . 0.0 112.361 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.14 -30.14 35.38 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.311 -0.716 . . . . 0.0 114.88 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -99.22 -26.3 14.23 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.708 1.254 . . . . 0.0 112.998 -169.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -71.44 -33.27 69.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.318 0.508 . . . . 0.0 111.562 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.23 -1.78 0.06 Allowed 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 118.832 2.901 . . . . 0.0 118.832 161.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.51 -178.22 6.98 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.71 87.51 0.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.134 0.974 . . . . 0.0 110.947 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.51 132.63 33.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.835 1.654 . . . . 0.0 111.23 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mm -119.22 -47.68 3.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 C-N-CA 126.839 2.055 . . . . 0.0 108.965 -171.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.468 ' NZ ' ' OD2' ' B' ' 53' ' ' ASP . 45.4 mttm -136.03 156.49 48.65 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 118.909 0.777 . . . . 0.0 110.989 167.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 pp -144.82 160.59 41.02 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.69 158.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.0 mtm-85 -138.85 151.03 46.65 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 126.566 1.946 . . . . 0.0 111.045 173.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 tt -137.06 140.75 42.24 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.682 1.593 . . . . 0.0 108.633 160.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -145.68 118.15 8.52 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.67 1.588 . . . . 0.0 108.374 -172.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 145.6 53.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.379 174.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 122.775 1.274 . . . . 0.0 112.957 -170.237 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 N--CA 1.464 0.258 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -139.75 174.11 10.85 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.64 2.376 . . . . 0.0 108.553 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -45.84 150.72 0.51 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.212 1.805 . . . . 0.0 112.583 -167.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -104.58 138.98 40.11 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.525 1.93 . . . . 0.0 109.491 169.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -128.81 117.06 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 127.03 2.132 . . . . 0.0 108.616 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 27.6 m -111.35 130.0 55.82 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 29.7 ttm -139.05 149.6 44.8 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.396 0.617 . . . . 0.0 111.61 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -141.18 119.88 12.52 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.49 1.116 . . . . 0.0 109.73 -173.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.8 mt -127.5 165.69 19.39 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.226 1.41 . . . . 0.0 109.718 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -113.75 149.71 34.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 122.341 1.067 . . . . 0.0 112.51 -176.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.74 177.36 4.79 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.812 2.045 . . . . 0.0 111.541 -173.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.19 -30.96 69.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.465 1.106 . . . . 0.0 113.935 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -81.77 -8.7 59.72 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.959 0.799 . . . . 0.0 112.75 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.04 22.11 77.11 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.049 0.833 . . . . 0.0 114.064 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -98.09 -15.32 20.03 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.586 1.155 . . . . 0.0 113.472 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 76.76 157.37 0.18 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.928 2.491 . . . . 0.0 113.018 167.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -139.74 118.74 12.59 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 122.407 1.099 . . . . 0.0 110.563 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -93.18 140.73 29.2 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 127.964 2.505 . . . . 0.0 110.059 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -150.63 153.74 36.22 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 122.51 0.324 . . . . 0.0 110.755 165.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -120.19 150.85 39.99 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 122.709 1.243 . . . . 0.0 111.488 170.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -143.97 94.5 2.59 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.359 1.864 . . . . 0.0 107.706 -166.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.7 167.73 11.39 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.118 0.785 . . . . 0.0 113.118 -173.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.8 37.0 57.47 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 -175.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -138.81 -167.52 2.23 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.692 1.597 . . . . 0.0 109.964 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.3 p -135.06 178.93 6.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 74.0 mt -57.65 -37.78 73.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.218 1.007 . . . . 0.0 112.576 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 18.8 m -65.11 -30.29 71.22 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -82.34 -32.22 29.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.558 1.143 . . . . 0.0 111.683 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -57.35 -47.58 81.22 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.943 0.897 . . . . 0.0 111.6 164.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.12 -31.27 67.0 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.912 0.885 . . . . 0.0 112.688 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.19 -55.33 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.0 170.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.51 -43.44 97.08 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.325 0.966 . . . . 0.0 112.32 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -58.46 -46.42 86.61 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.506 0.722 . . . . 0.0 111.844 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.57 -27.1 70.08 Favored Glycine 0 CA--C 1.536 1.391 0 N-CA-C 114.632 0.613 . . . . 0.0 114.632 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -76.75 -23.69 53.0 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.553 1.541 . . . . 0.0 112.845 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 34.7 m -49.83 -65.19 0.61 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.677 1.591 . . . . 0.0 112.5 -170.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 45.09 29.05 0.45 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.39 1.876 . . . . 0.0 115.674 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -143.25 177.8 8.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.887 1.675 . . . . 0.0 110.461 -168.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.89 93.53 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.626 1.571 . . . . 0.0 111.631 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.489 HG21 HD11 ' A' ' 33' ' ' LEU . 5.8 tp -71.31 132.1 33.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 127.36 2.264 . . . . 0.0 111.741 170.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mm -124.89 -58.8 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.142 0 C-N-CA 126.302 1.841 . . . . 0.0 108.419 -176.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -137.45 154.47 49.92 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.102 0.953 . . . . 0.0 111.983 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.1 tt -150.39 136.61 18.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.448 1.899 . . . . 0.0 107.812 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -143.38 148.27 35.95 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.933 1.293 . . . . 0.0 110.201 173.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 tt -137.31 148.79 46.59 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.238 1.415 . . . . 0.0 109.296 167.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.468 ' OD2' ' NZ ' ' A' ' 49' ' ' LYS . 8.4 t0 -153.05 104.5 2.83 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.634 1.573 . . . . 0.0 108.052 -170.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.22 101.53 0.56 Allowed 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.178 -0.951 . . . . 0.0 108.893 169.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 32.8 m -55.02 144.48 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 114.473 -1.24 . . . . 0.0 112.95 -172.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.9 tp . . . . . 0 C--O 1.254 1.323 0 C-N-CA 129.905 3.282 . . . . 0.0 115.497 -177.344 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.547 0.836 0 N-CA-C 117.732 2.493 . . . . 0.0 117.732 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.8 p 65.67 176.08 0.22 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 131.183 3.793 . . . . 0.0 115.243 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.515 ' CZ ' HD21 ' A' ' 33' ' ' LEU . 61.1 m-85 -70.77 140.92 51.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 120.846 -1.159 . . . . 0.0 108.906 152.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -139.51 124.89 19.1 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 126.166 1.787 . . . . 0.0 107.651 -168.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 t -128.97 132.32 67.46 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 124.993 1.317 . . . . 0.0 109.858 -165.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 m -116.2 122.74 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.333 1.453 . . . . 0.0 107.751 164.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.1 ttp -131.67 153.36 50.07 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 pp -152.27 151.42 30.9 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.418 1.104 . . . . 0.0 111.436 169.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -126.45 175.77 7.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.59 1.956 . . . . 0.0 109.697 -169.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -115.75 138.78 50.79 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.224 1.01 . . . . 0.0 111.183 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -80.86 161.15 24.55 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.348 1.859 . . . . 0.0 110.92 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.96 -31.22 62.79 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.528 1.531 . . . . 0.0 113.073 168.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' OD2' ' NZ ' ' A' ' 22' ' ' LYS . 30.1 t70 -74.51 -8.87 57.75 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 173.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.75 3.22 71.28 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.165 1.364 . . . . 0.0 114.447 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 62.9 mttp -83.05 160.17 22.0 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.39 1.076 . . . . 0.0 110.495 174.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -86.22 153.46 22.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.957 0.408 . . . . 0.0 111.215 170.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -138.35 148.82 44.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.485 0.66 . . . . 0.0 110.874 163.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -121.39 138.76 54.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.841 1.256 . . . . 0.0 111.418 -156.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -138.56 75.45 1.52 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.242 1.817 . . . . 0.0 108.91 -167.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -81.98 134.1 35.35 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.651 -0.656 . . . . 0.0 109.881 166.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -146.91 120.17 8.93 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 125.792 1.637 . . . . 0.0 109.575 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -121.03 162.62 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.787 1.235 . . . . 0.0 109.851 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.49 32.07 8.43 Favored Glycine 0 N--CA 1.464 0.547 0 O-C-N 123.437 0.461 . . . . 0.0 112.33 164.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 pp -137.35 -174.71 3.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.784 1.234 . . . . 0.0 111.258 -168.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 p -138.47 -175.58 4.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.437 167.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.515 HD21 ' CZ ' ' A' ' 10' ' ' TYR . 3.1 mm? -60.13 -33.85 72.72 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.7 m -66.77 -25.53 66.53 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 176.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.25 -31.35 27.03 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.913 0.885 . . . . 0.0 111.819 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -62.8 -40.65 98.0 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.346 -0.846 . . . . 0.0 111.488 168.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.09 -29.69 68.74 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.437 0.695 . . . . 0.0 112.608 175.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -73.47 -48.56 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.412 0.685 . . . . 0.0 110.641 170.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.1 tp -53.21 -52.66 58.19 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.953 0.797 . . . . 0.0 111.249 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.28 -59.01 5.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.338 1.055 . . . . 0.0 111.017 171.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.87 -18.95 55.16 Favored Glycine 0 C--N 1.343 0.956 0 C-N-CA 124.972 1.272 . . . . 0.0 115.473 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -113.16 -15.81 12.69 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.88 -11.49 2.99 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -164.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.08 72.71 0.61 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.526 1.057 . . . . 0.0 112.229 177.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -122.4 99.96 6.69 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.532 1.533 . . . . 0.0 110.414 -170.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 56.17 64.55 1.68 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.628 1.571 . . . . 0.0 110.975 -161.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 tp -67.0 135.04 29.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 C-N-CA 124.659 1.183 . . . . 0.0 111.922 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.6 mm -118.65 -54.54 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 126.938 2.095 . . . . 0.0 109.129 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -135.71 150.56 49.59 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.878 0.871 . . . . 0.0 111.521 174.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tp -147.97 131.7 16.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.065 2.146 . . . . 0.0 108.018 173.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -143.61 111.05 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.552 1.941 . . . . 0.0 107.037 -175.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 tt -125.14 141.47 52.09 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.079 0.951 . . . . 0.0 109.691 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -137.28 140.16 41.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.051 1.34 . . . . 0.0 107.754 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 2.4 tmtt? -67.7 104.84 1.74 Allowed 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 143.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.235 0.313 0 CA-C-O 123.82 1.772 . . . . 0.0 108.677 166.807 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 121.777 0.798 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.7 m -153.19 174.54 14.13 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.066 1.346 . . . . 0.0 109.161 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -42.6 139.22 1.62 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.271 1.828 . . . . 0.0 114.145 -162.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -97.26 114.59 26.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 126.55 1.94 . . . . 0.0 109.86 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.449 HG11 HD23 ' B' ' 39' ' ' LEU . 55.9 t -107.8 142.43 20.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 C-N-CA 125.003 1.321 . . . . 0.0 109.813 172.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.2 m -138.59 109.99 6.97 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.361 1.464 . . . . 0.0 107.536 174.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 37.1 ttp -131.31 156.76 44.91 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.723 0.409 . . . . 0.0 110.939 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.46 161.14 42.56 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 123.71 1.719 . . . . 0.0 112.005 165.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.61 178.71 8.82 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 127.786 2.434 . . . . 0.0 107.544 169.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -88.8 127.66 35.62 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.85 -0.531 . . . . 0.0 112.168 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.77 -179.32 8.08 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.26 -48.39 0.49 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 130.316 3.446 . . . . 0.0 115.289 166.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -138.44 14.17 2.77 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.655 1.582 . . . . 0.0 112.271 -172.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.92 26.7 70.47 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.515 0.579 . . . . 0.0 112.262 -172.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -131.61 167.23 19.78 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 125.489 1.516 . . . . 0.0 110.07 -173.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -67.75 143.29 55.95 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.985 0.898 . . . . 0.0 111.968 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -141.43 112.74 7.48 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 113.987 -1.46 . . . . 0.0 108.758 -162.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -100.76 155.38 17.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 123.265 1.507 . . . . 0.0 114.056 -157.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -142.78 72.52 1.37 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.994 2.518 . . . . 0.0 107.774 -171.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -78.94 120.08 23.03 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.582 1.153 . . . . 0.0 109.472 169.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -147.03 95.01 2.5 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.986 0.914 . . . . 0.0 111.065 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 168.47 10.23 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 168.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.36 30.1 42.4 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-O 119.914 -0.381 . . . . 0.0 112.753 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -132.6 -172.33 2.88 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.443 1.097 . . . . 0.0 110.39 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.9 p -132.14 -176.89 4.22 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.042 -1.036 . . . . 0.0 112.098 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.0 -33.74 72.41 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 120.563 -1.335 . . . . 0.0 112.757 -167.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 78.3 p -68.46 -26.79 65.68 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 170.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -78.53 -34.24 47.34 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.814 0.846 . . . . 0.0 111.231 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -60.91 -43.69 98.19 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.448 0.699 . . . . 0.0 111.371 168.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -57.88 -36.72 72.76 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 173.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.22 -48.51 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 122.729 0.412 . . . . 0.0 110.537 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.449 HD23 HG11 ' B' ' 12' ' ' VAL . 67.6 tp -57.31 -50.71 72.05 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.724 0.81 . . . . 0.0 112.075 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.4 -47.54 85.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.177 0.991 . . . . 0.0 111.472 174.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.38 -26.53 74.47 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-O 119.299 -0.723 . . . . 0.0 114.766 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -77.33 -17.73 58.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.333 1.053 . . . . 0.0 113.124 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.481 HG22 ' H ' ' B' ' 45' ' ' ASP . 51.9 m -57.0 -50.18 73.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.596 1.558 . . . . 0.0 112.944 -171.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.17 26.41 2.87 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.01 1.724 . . . . 0.0 115.191 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.481 ' H ' HG22 ' B' ' 43' ' ' THR . 21.5 t0 -133.68 173.41 11.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.019 1.727 . . . . 0.0 110.202 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -70.73 113.81 8.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.693 0.759 . . . . 0.0 110.58 168.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.15 138.03 18.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.755 167.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.0 mm -113.88 -48.65 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 124.623 1.169 . . . . 0.0 108.755 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -151.15 138.37 19.3 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.188 0.449 . . . . 0.0 111.286 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -141.84 155.53 45.56 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 122.823 1.297 . . . . 0.0 112.28 165.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.9 ttp-105 -138.84 148.27 43.51 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.647 1.979 . . . . 0.0 109.11 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 tt -145.36 139.44 26.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.594 1.557 . . . . 0.0 109.173 172.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.57 139.25 42.03 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 126.035 1.734 . . . . 0.0 109.28 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.69 155.74 25.55 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.502 1.144 . . . . 0.0 111.564 154.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.3 m -118.09 165.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 113.282 -1.781 . . . . 0.0 110.207 -177.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 C--O 1.248 0.976 0 CA-C-O 116.094 -1.907 . . . . 0.0 111.849 175.031 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 . . . . . 0 CA--C 1.537 0.446 0 CA-C-O 121.321 0.581 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t 96.54 175.44 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 129.05 2.94 . . . . 0.0 108.799 -154.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -46.0 125.1 6.01 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.426 1.89 . . . . 0.0 114.196 -154.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -94.07 117.18 29.73 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.427 2.291 . . . . 0.0 107.144 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.3 t -133.29 94.62 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 127.933 2.493 . . . . 0.0 109.28 -167.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.1 m -85.39 141.39 30.03 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.596 0.758 . . . . 0.0 109.23 170.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.5 ttm -143.43 152.29 41.37 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 123.481 0.712 . . . . 0.0 110.744 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -144.2 122.53 12.32 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 126.753 2.021 . . . . 0.0 109.551 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mp -122.59 166.15 15.31 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.861 1.265 . . . . 0.0 109.533 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -108.89 129.41 55.41 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.356 0.598 . . . . 0.0 111.958 -175.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -71.21 160.48 32.76 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.961 1.304 . . . . 0.0 111.617 172.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -60.59 -25.85 66.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.053 0.941 . . . . 0.0 113.329 173.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -74.23 -2.38 24.62 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.322 1.049 . . . . 0.0 112.547 171.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.27 8.78 77.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 120.724 -1.235 . . . . 0.0 114.658 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -103.99 159.36 15.73 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.485 1.514 . . . . 0.0 111.514 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -75.71 151.62 37.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 111.7 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -131.65 143.42 50.29 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 122.117 0.961 . . . . 0.0 110.166 156.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -107.89 137.56 45.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 127.147 2.179 . . . . 0.0 110.582 -162.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -145.02 71.68 1.31 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.959 1.304 . . . . 0.0 108.891 -162.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -92.71 135.62 33.95 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.952 1.301 . . . . 0.0 112.274 -173.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -135.7 146.48 47.78 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 126.013 1.725 . . . . 0.0 109.808 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -140.6 153.83 46.23 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.062 0.945 . . . . 0.0 109.151 171.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.62 22.17 56.58 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 119.58 -0.567 . . . . 0.0 113.216 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.83 -175.64 5.68 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.148 0.975 . . . . 0.0 111.258 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 p -133.37 179.81 5.98 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.313 -0.867 . . . . 0.0 110.279 153.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.19 -31.88 73.14 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.185 -0.947 . . . . 0.0 112.314 -173.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.6 m -66.31 -33.74 76.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.27 1.028 . . . . 0.0 112.218 173.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -78.52 -32.7 48.16 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.081 0.952 . . . . 0.0 110.881 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -62.4 -44.33 96.69 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.168 0.987 . . . . 0.0 112.006 167.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -54.94 -44.97 74.78 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.037 0.835 . . . . 0.0 111.711 171.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.05 -53.45 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.34 173.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.7 tp -55.77 -52.58 63.48 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.386 0.994 . . . . 0.0 112.928 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.9 -34.48 78.06 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.352 1.061 . . . . 0.0 112.448 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.27 -23.09 52.75 Favored Glycine 0 CA--C 1.535 1.33 0 CA-C-O 119.201 -0.777 . . . . 0.0 114.657 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -87.55 -36.73 17.41 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.196 1.398 . . . . 0.0 111.34 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.5 p -73.0 -74.19 0.18 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.736 0.814 . . . . 0.0 111.383 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.33 -1.13 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 129.406 3.082 . . . . 0.0 117.335 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -81.82 68.72 8.3 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.86 2.464 . . . . 0.0 112.42 -166.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 61.9 60.5 1.54 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.789 1.236 . . . . 0.0 110.586 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.64 121.12 10.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 125.958 1.703 . . . . 0.0 110.962 175.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 mm -96.73 -69.88 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 105.591 -2.004 . . . . 0.0 105.591 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -135.23 158.03 45.41 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 pp -141.35 156.57 45.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.405 167.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.35 103.6 4.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.282 1.433 . . . . 0.0 108.755 -177.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 tt -109.9 136.42 49.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.799 1.64 . . . . 0.0 110.348 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.54 138.97 46.33 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 126.626 1.97 . . . . 0.0 109.4 171.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 149.38 49.95 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.686 155.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.3 t . . . . . 0 C--N 1.329 -0.304 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.84 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 CA--C 1.545 0.782 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m 69.95 -165.24 0.17 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.611 1.165 . . . . 0.0 111.325 168.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -94.89 146.16 24.41 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.577 1.151 . . . . 0.0 109.512 156.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -93.87 138.38 32.08 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.125 1.77 . . . . 0.0 108.081 157.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.9 112.48 31.96 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 126.302 1.841 . . . . 0.0 108.19 171.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 21.5 m -121.63 95.18 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.473 1.509 . . . . 0.0 107.546 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 38.9 ttp -122.19 156.87 32.83 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.552 1.141 . . . . 0.0 111.557 -166.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 tt -149.2 127.37 12.06 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.995 0.918 . . . . 0.0 111.461 -170.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -122.81 175.64 6.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.926 2.09 . . . . 0.0 110.937 -172.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -133.45 117.71 17.52 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 123.419 0.688 . . . . 0.0 110.169 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -71.65 168.46 17.65 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.416 0.686 . . . . 0.0 112.202 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.04 -26.98 68.57 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.881 1.672 . . . . 0.0 113.497 -172.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -80.36 -0.0 34.98 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.138 1.375 . . . . 0.0 113.398 171.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.8 2.38 72.24 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.762 1.649 . . . . 0.0 113.957 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.56 125.67 33.95 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.572 1.686 . . . . 0.0 110.987 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -71.41 142.17 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.076 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -147.99 162.56 39.09 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.692 0.797 . . . . 0.0 109.977 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.4 159.13 35.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 122.374 1.083 . . . . 0.0 113.637 -171.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -136.47 89.89 2.51 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 128.812 2.845 . . . . 0.0 107.189 -166.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -106.76 104.46 14.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.919 2.088 . . . . 0.0 109.232 -168.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -136.34 85.5 2.15 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 125.566 1.546 . . . . 0.0 111.802 -162.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -69.22 165.12 21.18 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.009 0.924 . . . . 0.0 110.667 163.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.92 17.7 80.19 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.059 -0.856 . . . . 0.0 114.34 171.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -100.36 178.99 4.59 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.576 1.15 . . . . 0.0 111.973 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.5 p -136.46 177.62 7.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.844 1.258 . . . . 0.0 111.288 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.73 -31.76 71.05 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.889 0.876 . . . . 0.0 113.286 -174.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.2 p -77.88 -30.95 51.04 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.819 1.247 . . . . 0.0 112.421 174.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -73.45 -32.2 64.23 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.265 -0.897 . . . . 0.0 111.442 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -59.44 -44.09 92.99 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.526 0.73 . . . . 0.0 111.984 169.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -58.98 -36.26 74.58 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.145 0.978 . . . . 0.0 111.783 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -63.28 -52.78 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.278 0.631 . . . . 0.0 110.437 172.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.16 -53.19 61.06 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.824 0.85 . . . . 0.0 112.142 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -66.33 -33.98 76.94 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.694 0.798 . . . . 0.0 112.398 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.8 -26.36 56.33 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.628 -1.095 . . . . 0.0 114.463 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -87.65 -32.16 19.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.306 1.553 . . . . 0.0 111.705 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.1 p -72.67 131.91 43.01 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.914 -0.492 . . . . 0.0 111.284 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.81 -5.33 11.55 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.496 1.119 . . . . 0.0 113.23 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -76.64 44.06 0.35 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.428 2.291 . . . . 0.0 112.495 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 47.98 -126.46 1.82 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 127.435 2.294 . . . . 0.0 111.83 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.8 tp -168.83 135.07 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.362 1.865 . . . . 0.0 109.398 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.6 mm -123.76 -55.68 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 125.169 1.388 . . . . 0.0 108.799 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -133.39 151.55 51.84 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.566 1.146 . . . . 0.0 111.191 173.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 tp -151.51 122.68 7.71 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 125.109 1.364 . . . . 0.0 109.373 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -111.58 135.36 52.26 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 124.052 0.941 . . . . 0.0 108.761 158.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -128.26 133.14 48.74 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 162.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -152.18 109.49 3.57 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.999 0.52 . . . . 0.0 110.852 -162.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -69.24 104.78 2.31 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.765 0.793 . . . . 0.0 109.795 174.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -65.48 152.73 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 126.479 1.912 . . . . 0.0 109.893 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--O 1.249 1.051 0 C-N-CA 129.327 3.051 . . . . 0.0 110.971 -167.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -152.53 175.77 12.4 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.449 1.5 . . . . 0.0 111.029 -165.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -44.18 132.89 5.53 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.143 1.777 . . . . 0.0 114.084 -169.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -82.77 140.11 33.19 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.556 1.142 . . . . 0.0 108.819 160.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -135.28 89.43 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 125.772 1.629 . . . . 0.0 107.706 167.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.4 m -85.31 96.77 9.63 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 173.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.2 ttm -98.23 164.13 12.44 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.972 0.909 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -149.4 125.87 10.92 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.591 1.556 . . . . 0.0 109.503 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.9 mt -130.91 177.45 7.42 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 125.225 1.41 . . . . 0.0 110.624 -173.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -130.73 133.88 46.42 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.714 0.805 . . . . 0.0 110.896 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.68 162.55 27.63 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.129 1.372 . . . . 0.0 111.77 174.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.76 -31.24 66.31 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.917 1.287 . . . . 0.0 113.429 175.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -70.99 -10.55 59.93 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.574 0.749 . . . . 0.0 112.78 173.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.03 0.38 66.02 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 125.413 1.482 . . . . 0.0 113.426 -176.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -70.95 115.82 10.53 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.941 1.296 . . . . 0.0 110.43 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -80.13 137.58 36.75 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 122.962 0.505 . . . . 0.0 110.663 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -143.05 146.88 34.23 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.765 0.793 . . . . 0.0 111.93 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -83.57 151.03 25.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.904 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -137.05 79.46 1.75 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.04 2.536 . . . . 0.0 107.82 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -73.4 120.64 19.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.35 1.06 . . . . 0.0 110.406 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -140.0 91.97 2.51 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 123.872 0.869 . . . . 0.0 110.358 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -112.66 171.05 7.76 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.613 1.165 . . . . 0.0 112.869 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.37 38.34 94.86 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.943 0.782 . . . . 0.0 112.423 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -138.35 -161.08 1.13 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.682 1.193 . . . . 0.0 110.809 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -137.81 178.63 6.97 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 120.72 -1.238 . . . . 0.0 113.906 -173.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -36.0 81.7 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.385 -0.822 . . . . 0.0 112.638 -176.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.6 m -64.54 -29.16 70.19 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.424 -0.798 . . . . 0.0 112.292 172.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -81.6 -33.92 31.26 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.508 1.123 . . . . 0.0 111.43 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -57.12 -47.36 81.29 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.197 0.999 . . . . 0.0 111.567 165.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.17 -33.63 69.44 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.755 0.822 . . . . 0.0 112.722 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.49 -54.67 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.603 0.638 . . . . 0.0 110.642 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.6 tp -54.87 -50.93 67.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.957 0.799 . . . . 0.0 111.761 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.76 -51.13 70.67 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.548 1.139 . . . . 0.0 112.007 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.25 -20.48 76.69 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 119.158 -0.801 . . . . 0.0 114.551 -175.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -113.5 -21.9 10.6 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.39 1.095 . . . . 0.0 113.917 -170.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 m -128.24 -26.95 2.75 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -165.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.4 55.68 1.02 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -65.81 -41.46 91.86 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.508 1.123 . . . . 0.0 112.787 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -131.08 80.26 1.93 Allowed 'General case' 0 C--O 1.232 0.135 0 C-N-CA 126.226 1.81 . . . . 0.0 108.544 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.6 tp -71.36 118.86 16.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.836 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.3 mm -106.86 -50.26 8.02 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 C-N-CA 126.947 2.099 . . . . 0.0 107.912 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -152.53 154.41 35.38 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.249 0.477 . . . . 0.0 110.982 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.41 148.3 34.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.322 0.582 . . . . 0.0 111.168 155.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.97 92.99 3.21 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 126.562 1.945 . . . . 0.0 107.729 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.3 tt -93.05 137.44 32.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.282 1.033 . . . . 0.0 109.623 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -145.36 134.29 22.51 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.951 1.3 . . . . 0.0 109.503 174.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 144.02 14.56 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.104 0.478 . . . . 0.0 111.288 162.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.327 -0.374 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 171.814 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t 76.88 165.77 0.25 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 128.98 2.912 . . . . 0.0 112.23 -163.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -49.52 142.3 8.21 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 126.007 1.723 . . . . 0.0 114.108 -158.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -99.64 120.47 39.73 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.474 1.51 . . . . 0.0 108.858 170.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.412 HG22 HD12 ' B' ' 52' ' ' LEU . 70.9 t -108.5 114.88 47.86 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 125.296 1.438 . . . . 0.0 108.052 164.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 97.4 m -114.49 93.21 4.24 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp -108.98 161.48 15.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.213 1.005 . . . . 0.0 110.929 -174.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tt -150.35 124.0 9.14 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.046 0.939 . . . . 0.0 109.872 -173.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -117.33 166.3 12.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.444 1.098 . . . . 0.0 110.855 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -113.57 120.25 40.29 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.507 1.123 . . . . 0.0 109.971 162.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.85 162.49 23.97 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.453 1.501 . . . . 0.0 112.803 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.12 -23.35 65.45 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.097 1.359 . . . . 0.0 113.92 170.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -76.14 -2.73 32.46 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.369 0.986 . . . . 0.0 113.153 167.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.49 8.05 71.35 Favored Glycine 0 C--N 1.341 0.858 0 C-N-CA 124.919 1.247 . . . . 0.0 114.626 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -106.28 148.28 28.17 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 118.146 0.973 . . . . 0.0 112.436 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -90.4 136.55 32.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.908 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -140.13 143.06 36.01 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 122.096 0.95 . . . . 0.0 112.036 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -81.24 148.8 29.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.041 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -133.23 74.85 1.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.72 2.408 . . . . 0.0 107.49 170.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -77.87 125.19 28.97 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.255 1.422 . . . . 0.0 110.268 169.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -146.53 101.07 3.43 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 127.281 2.232 . . . . 0.0 110.405 -178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -107.67 153.5 22.83 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.692 0.797 . . . . 0.0 111.194 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.1 48.32 8.45 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 123.724 0.678 . . . . 0.0 112.702 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 pp -132.5 -165.87 1.66 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.717 1.207 . . . . 0.0 110.661 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.3 p -141.26 -178.28 5.52 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.465 -0.772 . . . . 0.0 111.465 172.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.78 -32.44 73.73 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -163.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 37.1 p -64.39 -29.6 70.66 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 170.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.25 -31.53 33.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.207 1.003 . . . . 0.0 111.279 175.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.53 -45.06 95.22 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.323 -0.86 . . . . 0.0 110.969 165.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -61.85 -29.03 69.91 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.77 -57.95 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 118.715 0.689 . . . . 0.0 109.833 165.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 19.9 tp -53.83 -48.38 69.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.023 0.929 . . . . 0.0 112.647 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -60.58 -31.91 71.04 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.111 1.365 . . . . 0.0 113.19 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.83 -24.91 16.17 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 118.628 0.649 . . . . 0.0 114.262 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -91.53 -31.9 15.76 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.53 1.132 . . . . 0.0 112.208 -172.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.0 p -64.24 -42.63 96.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.81 -9.21 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 128.512 2.725 . . . . 0.0 117.32 171.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.14 166.03 23.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.384 1.087 . . . . 0.0 112.233 166.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.36 120.48 16.08 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.289 1.036 . . . . 0.0 111.894 -171.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.82 129.61 27.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 124.534 1.134 . . . . 0.0 111.085 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mm -115.11 -56.85 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 127.406 2.282 . . . . 0.0 107.451 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -136.23 155.95 49.37 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.444 0.698 . . . . 0.0 111.48 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.9 tp -150.58 110.31 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.855 1.262 . . . . 0.0 108.786 172.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.72 111.5 23.72 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 124.553 1.141 . . . . 0.0 109.006 173.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.412 HD12 HG22 ' B' ' 12' ' ' VAL . 7.1 tt -109.26 139.63 43.93 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 169.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -148.78 119.81 7.69 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 123.944 0.898 . . . . 0.0 109.21 -174.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 125.75 27.07 Favored 'General case' 0 C--N 1.345 0.404 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 162.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 31.2 m -86.72 156.83 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.499 -155.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--O 1.249 1.039 0 C-N-CA 127.12 2.168 . . . . 0.0 111.905 170.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 t -146.75 176.96 9.47 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.1 1.76 . . . . 0.0 109.323 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -47.42 147.57 1.63 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.617 1.567 . . . . 0.0 114.263 -161.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.72 117.49 30.4 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 127.474 2.31 . . . . 0.0 109.286 -176.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.93 96.08 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.729 1.211 . . . . 0.0 110.563 -174.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -91.06 110.6 21.87 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.302 1.441 . . . . 0.0 109.431 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 tpt -121.57 147.18 46.16 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.358 1.463 . . . . 0.0 110.556 -163.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 tp -144.16 118.94 9.86 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 124.839 1.256 . . . . 0.0 111.488 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.34 171.13 7.7 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.487 172.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -123.71 126.85 47.27 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.512 1.125 . . . . 0.0 110.708 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -76.46 168.35 20.22 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.967 1.307 . . . . 0.0 110.512 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.72 -36.39 74.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.743 2.017 . . . . 0.0 113.348 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -81.32 -2.44 49.12 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.435 -0.791 . . . . 0.0 112.986 175.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.23 3.42 56.66 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 125.372 1.463 . . . . 0.0 113.894 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -70.47 117.41 11.97 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 118.643 1.221 . . . . 0.0 111.101 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -85.88 125.6 33.44 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 123.089 0.556 . . . . 0.0 110.47 176.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -127.06 113.64 16.71 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.854 0.835 . . . . 0.0 112.38 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -74.05 147.33 42.96 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.341 172.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -146.9 149.44 33.25 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.446 1.498 . . . . 0.0 110.35 164.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -118.56 108.99 15.65 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 124.681 1.192 . . . . 0.0 108.223 -170.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -114.46 81.51 1.56 Allowed 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 123.598 0.759 . . . . 0.0 108.997 -170.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -109.63 168.77 9.16 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.323 0.649 . . . . 0.0 112.746 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.28 37.98 63.01 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 123.703 0.668 . . . . 0.0 112.386 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 pp -135.55 -170.56 2.63 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.711 1.205 . . . . 0.0 110.233 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -133.3 -179.82 5.74 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 120.644 -1.285 . . . . 0.0 112.711 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.55 -32.39 71.45 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -172.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.5 m -69.14 -27.25 65.39 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -84.46 -30.67 25.06 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.681 1.192 . . . . 0.0 111.576 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -61.32 -42.29 98.42 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.523 -0.736 . . . . 0.0 111.451 165.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -60.95 -24.3 65.96 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.89 -49.27 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 118.638 0.654 . . . . 0.0 110.736 168.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.9 tp -56.15 -50.92 69.77 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.015 0.825 . . . . 0.0 111.463 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -64.62 -33.84 76.88 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.51 -23.02 55.16 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 115.049 0.78 . . . . 0.0 115.049 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -114.81 -31.56 6.09 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.511 1.155 . . . . 0.0 113.048 -172.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.1 m -127.22 -5.62 6.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.503 0.721 . . . . 0.0 112.382 -154.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.45 25.48 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.97 2.108 . . . . 0.0 115.096 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -62.96 99.77 0.18 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.166 2.186 . . . . 0.0 111.186 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 51.67 59.93 4.22 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.813 1.645 . . . . 0.0 113.267 -170.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.86 132.68 28.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.618 175.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.9 mm -115.81 -48.94 4.64 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 C-N-CA 127.063 2.145 . . . . 0.0 109.71 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -138.38 146.3 42.08 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.644 0.656 . . . . 0.0 110.722 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tt -151.25 103.06 2.98 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.186 1.394 . . . . 0.0 107.827 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -98.04 126.35 43.42 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.302 1.041 . . . . 0.0 108.905 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -124.85 133.44 53.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 170.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.43 134.77 46.55 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 125.086 1.355 . . . . 0.0 108.367 176.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 136.36 54.95 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.633 153.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.043 -170.177 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.236 0.366 0 CA-C-O 122.392 1.091 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.6 m 141.79 -177.46 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.473 2.709 . . . . 0.0 108.738 -147.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -93.2 161.79 14.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.759 1.266 . . . . 0.0 110.829 156.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -108.62 142.1 39.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 127.186 2.194 . . . . 0.0 107.446 163.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -131.4 91.82 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 124.889 1.276 . . . . 0.0 108.167 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 6.8 m -80.33 141.33 35.54 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 164.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 43.8 ttm -149.51 155.1 39.81 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.795 0.725 . . . . 0.0 111.698 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -145.61 119.82 9.53 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.908 0.883 . . . . 0.0 110.439 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -117.69 175.98 5.39 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 125.848 1.659 . . . . 0.0 110.86 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -127.48 131.42 50.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.618 0.767 . . . . 0.0 110.565 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -75.96 162.35 28.16 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.563 1.145 . . . . 0.0 111.629 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -61.2 -22.6 64.91 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.04 -7.28 54.31 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.919 0.782 . . . . 0.0 112.645 171.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.39 5.02 65.69 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.706 1.145 . . . . 0.0 114.041 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -95.13 145.59 24.9 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 118.108 0.954 . . . . 0.0 111.005 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -99.73 140.49 33.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.492 -171.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -138.77 154.51 48.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 122.227 1.013 . . . . 0.0 111.244 -178.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -120.96 145.85 47.29 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.161 -163.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -137.72 155.9 48.59 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.244 1.418 . . . . 0.0 110.529 174.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -141.76 138.56 32.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.131 0.972 . . . . 0.0 109.654 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -143.82 83.44 1.75 Allowed 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 124.417 1.087 . . . . 0.0 109.64 -171.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.62 163.26 24.74 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.566 0.747 . . . . 0.0 110.725 172.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.0 29.99 52.64 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-O 119.615 -0.547 . . . . 0.0 113.744 163.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.57 -168.94 2.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.516 1.126 . . . . 0.0 111.046 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 17.7 p -131.54 178.77 6.48 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.284 -0.885 . . . . 0.0 113.341 -167.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt -58.0 -39.34 78.01 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.45 0.7 . . . . 0.0 112.744 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -68.22 -19.29 64.74 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.52 -32.55 15.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.681 1.192 . . . . 0.0 111.611 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -57.28 -44.55 84.11 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.26 0.624 . . . . 0.0 111.252 164.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.19 -25.62 67.16 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.112 0.965 . . . . 0.0 113.351 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.19 -57.21 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.812 169.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.09 -48.87 80.04 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.035 0.834 . . . . 0.0 111.974 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -63.85 -38.62 91.78 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.01 -19.03 75.79 Favored Glycine 0 C--N 1.34 0.762 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 -177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -121.3 -28.51 4.66 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 5.1 m -129.48 -8.54 4.65 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.809 0.443 . . . . 0.0 111.66 -155.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.74 62.0 0.17 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.254 1.422 . . . . 0.0 113.625 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.85 86.51 7.36 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.214 2.206 . . . . 0.0 110.912 -168.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 55.43 75.26 0.33 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.608 1.563 . . . . 0.0 110.826 -164.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.83 129.29 35.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.144 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 40.9 mm -113.49 -43.74 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 128.421 2.688 . . . . 0.0 109.316 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -140.97 154.31 45.99 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.956 0.902 . . . . 0.0 110.851 168.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 pp -145.85 159.02 43.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.97 0.89 . . . . 0.0 110.758 152.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -140.51 107.85 5.53 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.726 1.211 . . . . 0.0 109.033 173.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 24.2 tp -96.44 121.52 38.34 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 124.827 1.251 . . . . 0.0 108.068 169.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -144.18 110.72 5.58 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -166.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -62.67 114.42 3.58 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-O 121.69 0.757 . . . . 0.0 111.628 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 t -72.52 153.81 7.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 124.788 1.235 . . . . 0.0 110.597 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 28.4 tp . . . . . 0 C--O 1.254 1.301 0 C-N-CA 127.978 2.511 . . . . 0.0 110.996 -178.505 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 . . . . . 0 CA--C 1.536 0.427 0 CA-C-O 121.959 0.885 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m 69.7 162.03 0.22 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 127.997 2.519 . . . . 0.0 113.5 -166.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -55.7 153.04 8.59 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.6 1.56 . . . . 0.0 113.781 -160.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -105.67 136.19 45.72 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 125.585 1.554 . . . . 0.0 109.332 170.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -127.42 140.95 47.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 126.196 1.799 . . . . 0.0 107.698 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.9 m -137.94 124.11 20.4 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.2 ttm -140.87 145.57 36.35 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.724 0.693 . . . . 0.0 112.811 -166.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.7 tp -123.03 122.34 38.27 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 127.025 2.13 . . . . 0.0 109.812 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -129.84 169.62 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.128 1.771 . . . . 0.0 109.402 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -135.44 111.89 9.88 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.633 0.73 . . . . 0.0 111.421 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.15 164.02 1.4 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.042 1.737 . . . . 0.0 112.249 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -59.74 -30.07 68.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.45 1.1 . . . . 0.0 112.674 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -74.5 -2.74 27.02 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.14 0.976 . . . . 0.0 112.899 172.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.69 6.57 85.37 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.791 1.186 . . . . 0.0 113.916 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -83.24 119.09 24.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.654 1.182 . . . . 0.0 110.409 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -74.48 138.55 43.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.767 0.318 . . . . 0.0 111.403 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -141.25 139.47 33.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 122.121 0.962 . . . . 0.0 111.62 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -122.04 129.74 52.68 Favored 'General case' 0 C--O 1.245 0.838 0 C-N-CA 126.238 1.815 . . . . 0.0 109.605 -170.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -144.6 149.84 36.45 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 124.732 1.27 . . . . 0.0 112.788 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -94.35 141.8 28.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.739 1.615 . . . . 0.0 109.628 167.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -145.72 92.6 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.641 1.576 . . . . 0.0 108.745 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.37 172.16 8.24 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.378 0.671 . . . . 0.0 112.107 -175.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.53 35.53 51.51 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 115.149 -0.932 . . . . 0.0 113.071 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -140.4 -166.96 2.23 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 125.157 1.383 . . . . 0.0 110.81 -171.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.1 p -134.78 179.92 6.0 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 120.954 -1.091 . . . . 0.0 113.632 -172.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD22 ' H ' ' A' ' 33' ' ' LEU . 2.2 mm? -66.09 -26.34 67.43 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -175.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.4 m -76.16 -28.59 57.42 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 124.13 0.972 . . . . 0.0 112.8 172.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -78.41 -29.33 47.14 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.695 0.798 . . . . 0.0 111.449 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.72 -45.14 93.07 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 118.824 -0.608 . . . . 0.0 111.342 164.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.44 -28.26 69.15 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 119.16 0.891 . . . . 0.0 113.067 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.5 t -67.5 -54.52 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 118.404 0.547 . . . . 0.0 110.319 169.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.1 tp -59.86 -42.71 94.27 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.88 0.764 . . . . 0.0 112.405 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -66.88 -47.75 70.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.357 1.463 . . . . 0.0 112.647 175.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.78 -33.53 9.04 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -168.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -81.4 -33.94 31.92 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.352 1.076 . . . . 0.0 112.656 -175.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 m -78.48 -26.74 46.14 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -160.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.02 2.68 0.11 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.312 2.645 . . . . 0.0 118.007 170.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -86.02 59.06 5.41 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.948 1.299 . . . . 0.0 111.696 -176.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 71.89 -28.98 0.19 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 129.866 3.266 . . . . 0.0 117.7 161.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm 58.45 110.76 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.257 1.823 . . . . 0.0 112.661 -172.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.8 mm -114.19 -54.24 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 113.86 -1.518 . . . . 0.0 108.385 -173.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -143.5 155.95 44.48 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.895 0.878 . . . . 0.0 110.043 168.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 pp -151.67 162.88 40.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.926 0.87 . . . . 0.0 111.578 162.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 ttp-105 -137.56 151.67 48.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 127.197 2.199 . . . . 0.0 109.33 171.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 tt -145.99 144.64 30.23 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.668 1.587 . . . . 0.0 108.983 172.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.71 134.28 30.09 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 125.736 1.614 . . . . 0.0 109.026 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 140.21 58.26 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.197 151.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.385 -174.652 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 CA--C 1.535 0.383 0 CA-C-O 121.421 0.629 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -128.08 161.44 29.2 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.625 1.57 . . . . 0.0 109.66 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -51.73 145.34 9.55 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.529 1.131 . . . . 0.0 113.454 -155.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -94.31 135.98 35.11 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.415 1.886 . . . . 0.0 108.279 166.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.76 92.54 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 126.068 1.747 . . . . 0.0 108.114 172.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 61.8 m -91.11 117.17 29.39 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 124.927 1.291 . . . . 0.0 108.351 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 57.8 ttm -134.67 149.09 50.48 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 121.644 -0.66 . . . . 0.0 111.883 -171.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -128.28 110.95 12.87 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.631 1.572 . . . . 0.0 110.129 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.92 170.8 7.73 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 125.568 1.547 . . . . 0.0 110.599 173.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -128.0 119.65 25.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.828 0.851 . . . . 0.0 110.279 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.02 146.77 54.3 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 168.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.66 -8.83 45.87 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -175.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.9 -0.37 27.22 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.939 0.895 . . . . 0.0 112.944 165.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.07 8.27 59.08 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 125.874 1.702 . . . . 0.0 113.959 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -93.91 106.72 18.68 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.105 0.962 . . . . 0.0 110.074 -170.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -76.1 128.4 34.91 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.12 0.568 . . . . 0.0 110.94 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -130.92 122.53 27.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.969 0.89 . . . . 0.0 111.296 -177.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -76.67 147.76 37.26 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.987 170.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -140.92 150.63 43.4 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.62 1.168 . . . . 0.0 109.959 165.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -126.83 89.51 3.0 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.891 1.677 . . . . 0.0 108.638 -172.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -101.72 84.36 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -171.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.91 152.57 20.76 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 123.9 0.88 . . . . 0.0 112.541 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.03 23.59 34.65 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 124.056 0.836 . . . . 0.0 113.746 -174.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 mt -101.68 -174.56 2.62 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.423 1.489 . . . . 0.0 112.046 -173.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.0 p -133.63 176.16 8.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.365 -0.834 . . . . 0.0 110.042 166.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.08 -32.52 72.17 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 74.7 m -70.23 -27.31 64.36 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 174.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -81.14 -32.45 33.71 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.632 1.173 . . . . 0.0 111.226 175.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -58.57 -45.75 88.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.583 166.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.87 -25.21 64.87 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 63.4 t -71.0 -45.96 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 123.505 0.722 . . . . 0.0 111.648 171.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.19 -37.95 88.95 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.449 0.568 . . . . 0.0 111.544 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -67.59 -15.88 63.89 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.86 -35.7 92.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 121.144 -0.973 . . . . 0.0 112.678 165.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -80.13 -15.46 57.05 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 7.7 m -57.05 -20.34 24.18 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.383 1.473 . . . . 0.0 114.781 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.07 -9.24 0.82 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 172.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.48 40.73 1.23 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 72.14 70.36 0.15 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.908 2.083 . . . . 0.0 112.711 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 tt -67.49 151.88 10.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.951 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.3 mm -122.11 -53.69 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 126.008 1.723 . . . . 0.0 109.743 -172.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -139.61 159.46 42.11 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 123.455 0.702 . . . . 0.0 111.976 172.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tp -152.56 140.89 20.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.616 1.567 . . . . 0.0 108.961 169.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 41.9 ttp85 -135.51 127.36 29.36 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.851 2.061 . . . . 0.0 108.619 168.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 tt -128.36 146.37 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 122.959 0.503 . . . . 0.0 110.036 173.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' B' ' 55' ' ' VAL . 5.4 t0 -147.32 131.49 17.37 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.495 1.118 . . . . 0.0 108.369 -173.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.413 ' HB2' ' HE2' ' B' ' 54' ' ' LYS . 1.5 ptmm? -70.13 16.5 0.07 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 170.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.428 ' H ' ' C ' ' B' ' 53' ' ' ASP . 19.0 m 34.51 90.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 131.016 3.726 . . . . 0.0 114.266 -173.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.8 tp . . . . . 0 C--O 1.257 1.47 0 CA-C-N 111.287 -2.688 . . . . 0.0 110.276 -172.805 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.7 t0 . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 121.629 0.728 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.595 ' H ' ' HA2' ' A' ' 30' ' ' GLY . 70.6 m -117.79 -167.68 1.38 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 129.1 2.96 . . . . 0.0 109.774 -174.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -44.16 115.07 0.77 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.438 1.495 . . . . 0.0 112.104 -169.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -70.94 146.65 49.37 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 161.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -137.89 96.46 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 128.294 2.637 . . . . 0.0 107.89 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -96.47 105.84 17.99 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 127.298 2.239 . . . . 0.0 107.905 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.02 154.81 32.5 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 120.595 1.543 . . . . 0.0 111.44 -178.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tt -147.85 111.29 4.95 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.02 0.928 . . . . 0.0 109.615 -175.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.67 170.84 7.96 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.505 1.122 . . . . 0.0 109.943 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -125.13 122.66 37.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.074 1.35 . . . . 0.0 110.681 172.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.4 162.38 29.52 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.793 1.237 . . . . 0.0 111.963 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -62.95 -21.7 66.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.658 1.583 . . . . 0.0 114.097 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -79.16 0.0 30.05 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 118.933 0.788 . . . . 0.0 112.701 169.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.45 4.13 74.07 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.454 1.502 . . . . 0.0 113.442 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -80.28 112.19 17.38 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.774 1.23 . . . . 0.0 110.869 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -74.07 132.07 41.96 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 170.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -137.51 156.85 47.66 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 122.157 0.979 . . . . 0.0 111.642 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -121.82 133.57 54.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.288 1.435 . . . . 0.0 110.251 -161.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -134.79 75.52 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.617 1.967 . . . . 0.0 108.381 -168.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -95.53 109.82 21.98 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.028 0.918 . . . . 0.0 111.062 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -115.28 143.99 44.41 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.095 2.158 . . . . 0.0 108.336 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -130.66 152.77 49.66 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.76 0.424 . . . . 0.0 111.484 -170.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.595 ' HA2' ' H ' ' A' ' 9' ' ' SER . . . 71.38 32.44 65.04 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 118.678 -1.068 . . . . 0.0 114.162 171.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.4 mt -111.7 -151.94 0.49 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.928 1.364 . . . . 0.0 110.24 -169.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.1 p -147.17 175.04 11.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.841 -1.162 . . . . 0.0 112.345 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.76 -34.09 73.93 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 m -65.02 -33.97 77.32 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.759 0.708 . . . . 0.0 111.747 172.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -75.43 -36.19 60.81 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.283 -0.886 . . . . 0.0 111.357 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -59.21 -50.61 73.37 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.382 1.073 . . . . 0.0 111.515 167.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -54.82 -41.28 70.47 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.268 1.427 . . . . 0.0 111.798 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.74 -55.41 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 118.797 -0.62 . . . . 0.0 111.25 170.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.7 tp -61.75 -44.03 97.69 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.782 1.174 . . . . 0.0 113.115 -173.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.82 -32.11 72.39 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.425 1.09 . . . . 0.0 112.079 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.51 -33.44 11.53 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-N 118.824 0.738 . . . . 0.0 114.457 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -89.26 -29.71 19.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.708 1.203 . . . . 0.0 112.255 -170.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -62.17 -43.82 97.97 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 118.923 -0.56 . . . . 0.0 111.814 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.39 -14.56 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.21 2.604 . . . . 0.0 117.627 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.17 158.81 27.76 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 122.36 1.076 . . . . 0.0 111.253 169.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.35 108.45 1.95 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.207 -173.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.99 125.73 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 124.867 1.267 . . . . 0.0 110.843 176.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.3 mm -107.28 -42.91 6.44 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.082 0 C-N-CA 127.445 2.298 . . . . 0.0 108.108 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -143.89 150.63 38.7 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.305 1.042 . . . . 0.0 110.212 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HG ' ' HB3' ' B' ' 52' ' ' LEU . 3.8 pp -146.61 162.4 38.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.793 0.806 . . . . 0.0 110.018 149.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 ttp85 -142.53 124.44 15.2 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 127.625 2.37 . . . . 0.0 108.521 173.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 tt -118.31 144.94 45.46 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.787 1.635 . . . . 0.0 107.921 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -150.35 112.78 4.68 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -172.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -67.03 87.5 0.15 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 122.04 0.924 . . . . 0.0 110.781 170.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 C--O 1.235 0.325 0 C-N-CA 124.442 1.097 . . . . 0.0 110.558 175.84 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -168.66 -176.56 2.8 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.832 1.653 . . . . 0.0 108.734 -170.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -35.52 130.22 0.53 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.619 2.367 . . . . 0.0 112.902 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -105.12 103.26 12.77 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 127.232 2.213 . . . . 0.0 109.871 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.568 HG22 HD13 ' B' ' 52' ' ' LEU . 12.4 t -86.26 133.37 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 168.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 37.0 m -129.59 93.33 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 165.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 37.1 ttp -106.25 160.28 15.47 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.536 0.734 . . . . 0.0 111.071 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.3 120.04 8.08 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.611 0.764 . . . . 0.0 110.812 -168.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.42 174.83 5.92 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.406 1.883 . . . . 0.0 110.471 -174.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -132.15 124.68 29.56 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 124.269 1.028 . . . . 0.0 110.113 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.96 165.21 23.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.888 1.275 . . . . 0.0 112.393 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -54.47 -34.78 62.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.776 1.631 . . . . 0.0 112.87 171.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.26 0.22 14.88 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.301 -0.875 . . . . 0.0 113.2 173.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.28 6.05 89.42 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.312 1.434 . . . . 0.0 113.666 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -78.28 122.5 25.8 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.686 -0.89 . . . . 0.0 110.283 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -79.49 130.29 35.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.637 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -132.53 140.86 48.49 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.93 0.871 . . . . 0.0 111.712 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -88.05 152.12 22.26 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.038 1.335 . . . . 0.0 111.727 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -134.36 79.2 1.79 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.395 2.278 . . . . 0.0 108.133 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -73.96 116.72 14.91 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.589 1.556 . . . . 0.0 109.899 169.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -143.77 101.11 3.7 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.113 0.965 . . . . 0.0 110.626 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.67 168.18 9.99 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.504 0.722 . . . . 0.0 112.888 177.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.95 39.37 38.44 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.408 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 pp -135.32 -165.58 1.7 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.986 1.314 . . . . 0.0 109.442 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.0 p -137.81 -176.76 4.53 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.239 -0.913 . . . . 0.0 113.372 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.8 mt -57.74 -41.94 82.91 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -168.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -63.7 -31.7 72.95 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -79.12 -34.75 43.09 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.877 1.271 . . . . 0.0 111.811 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.32 -46.04 91.29 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.596 -0.69 . . . . 0.0 110.74 166.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.24 -30.53 69.48 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.772 0.829 . . . . 0.0 113.089 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 70.7 t -63.54 -52.2 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 118.677 0.672 . . . . 0.0 110.396 170.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 24.4 tp -57.76 -51.19 70.57 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.407 1.083 . . . . 0.0 111.628 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -60.2 -39.26 85.94 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.095 2.158 . . . . 0.0 112.451 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.29 -22.99 64.0 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-O 118.945 -0.92 . . . . 0.0 114.612 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -99.28 -37.86 9.1 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.981 1.39 . . . . 0.0 113.984 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m -78.06 -45.68 22.9 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.295 0.498 . . . . 0.0 111.672 -161.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.56 -1.82 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 128.93 2.892 . . . . 0.0 118.563 161.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -70.46 81.55 0.57 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.339 1.456 . . . . 0.0 113.045 -175.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 60.25 -16.22 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.771 2.828 . . . . 0.0 117.127 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . 0.292 3.2 tp 38.68 99.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 131.372 3.869 . . . . 0.0 113.081 172.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.7 mm -108.26 -47.03 7.6 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 C-N-CA 129.154 2.982 . . . . 0.0 109.073 -160.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -142.4 161.13 38.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.6 0.714 . . . . 0.0 110.975 169.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 tp -154.18 123.38 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.81 1.244 . . . . 0.0 107.939 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -115.22 143.53 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 165.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.568 HD13 HG22 ' B' ' 12' ' ' VAL . 53.7 tp -134.79 143.87 47.33 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 167.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -148.6 111.54 4.85 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.824 1.25 . . . . 0.0 108.025 -171.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -69.44 96.8 0.92 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.411 -0.806 . . . . 0.0 110.885 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.19 151.67 9.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.393 165.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.841 2.057 . . . . 0.0 108.675 -171.62 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 121.054 0.454 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m -140.95 -177.4 5.07 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 127.033 2.133 . . . . 0.0 109.13 -172.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -41.53 130.08 3.13 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.221 1.408 . . . . 0.0 113.816 -167.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -109.8 96.21 6.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 127.765 2.426 . . . . 0.0 109.007 -168.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.9 t -95.51 143.0 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.568 1.547 . . . . 0.0 110.307 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.6 m -144.28 118.47 9.51 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 124.143 0.977 . . . . 0.0 108.469 172.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.8 mtt -125.1 161.88 25.82 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.375 0.988 . . . . 0.0 113.035 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tt -141.87 115.61 9.14 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.507 1.523 . . . . 0.0 109.077 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.89 166.75 16.31 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.518 1.127 . . . . 0.0 109.78 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -125.55 118.04 24.89 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.257 1.023 . . . . 0.0 110.182 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.57 159.44 21.77 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.594 1.158 . . . . 0.0 111.924 175.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.93 -18.82 63.58 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.82 -3.14 36.87 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.654 0.782 . . . . 0.0 112.99 168.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.72 6.71 69.75 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 125.766 1.65 . . . . 0.0 113.581 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -85.8 112.43 21.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.481 1.112 . . . . 0.0 110.579 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -74.83 132.92 41.91 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.261 0.625 . . . . 0.0 110.943 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -136.26 154.13 50.99 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.107 0.963 . . . . 0.0 111.63 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -121.93 136.01 54.9 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.438 1.495 . . . . 0.0 110.897 -165.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -136.49 85.35 2.14 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.17 1.388 . . . . 0.0 110.404 -164.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -87.1 125.23 34.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.337 0.655 . . . . 0.0 110.324 172.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -144.61 98.66 3.23 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.36 1.064 . . . . 0.0 111.059 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.89 173.39 6.34 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.648 0.779 . . . . 0.0 112.672 177.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.17 31.07 66.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.59 -0.561 . . . . 0.0 113.342 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 pp -130.42 -163.06 1.27 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.551 1.14 . . . . 0.0 111.013 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.9 p -142.91 -177.39 5.31 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.144 -0.973 . . . . 0.0 112.83 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.64 -32.34 73.79 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -165.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 p -63.77 -31.94 73.27 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.675 1.19 . . . . 0.0 112.707 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.99 -31.23 34.81 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.221 1.008 . . . . 0.0 112.113 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -60.43 -45.68 92.77 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.443 -0.786 . . . . 0.0 110.9 165.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.38 -42.36 70.26 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.229 1.812 . . . . 0.0 112.488 174.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.67 -50.4 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.258 173.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -55.58 31.93 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.657 1.117 . . . . 0.0 110.908 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -59.71 -41.04 89.92 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.154 0.982 . . . . 0.0 112.23 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.9 -30.39 26.3 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-O 119.191 -0.783 . . . . 0.0 114.912 -174.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -82.12 -37.5 26.18 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.986 1.393 . . . . 0.0 111.394 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 p -65.7 -51.4 59.63 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.019 0.527 . . . . 0.0 111.49 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.98 17.57 0.68 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.288 2.235 . . . . 0.0 114.387 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -82.21 170.88 14.92 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.592 1.557 . . . . 0.0 111.975 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.51 100.71 0.52 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.008 0.923 . . . . 0.0 110.188 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 129.07 36.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.059 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -109.83 -45.84 6.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 127.644 2.377 . . . . 0.0 108.19 -176.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -140.46 148.34 41.0 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.537 1.535 . . . . 0.0 110.157 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -143.54 158.46 43.64 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.632 1.206 . . . . 0.0 111.738 149.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -139.82 147.19 40.38 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 127.362 2.265 . . . . 0.0 109.052 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.5 tt -144.67 135.49 24.81 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.832 1.653 . . . . 0.0 108.658 164.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -129.3 141.25 51.15 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.532 1.133 . . . . 0.0 108.726 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -64.06 153.29 37.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.916 0.865 . . . . 0.0 110.762 163.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.0 t . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 114.166 -1.379 . . . . 0.0 107.53 169.381 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 49.6 m 75.3 145.66 0.08 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 127.82 2.448 . . . . 0.0 112.221 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -52.17 149.82 5.02 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.934 2.094 . . . . 0.0 114.382 -154.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -117.07 93.81 4.33 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 126.778 2.031 . . . . 0.0 109.609 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.491 HG22 HD13 ' B' ' 52' ' ' LEU . 38.7 t -82.03 130.67 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 166.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 31.3 m -132.54 87.7 2.45 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.878 1.671 . . . . 0.0 107.028 172.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 6.0 mtp -94.43 168.44 10.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.913 0.885 . . . . 0.0 110.651 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.4 149.42 31.72 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.136 0.97 . . . . 0.0 111.218 157.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -134.72 172.29 13.16 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.275 1.83 . . . . 0.0 109.507 -172.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -119.93 141.43 49.64 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.328 0.651 . . . . 0.0 110.492 -175.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.69 171.68 8.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.398 1.079 . . . . 0.0 110.087 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.0 -35.33 76.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.652 1.181 . . . . 0.0 112.811 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -83.35 -2.34 55.52 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.451 1.1 . . . . 0.0 112.958 173.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.31 83.21 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-O 118.122 -1.377 . . . . 0.0 114.762 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -61.22 -24.45 66.36 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.999 1.9 . . . . 0.0 115.565 -166.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 59.09 136.56 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 128.381 2.672 . . . . 0.0 114.152 -167.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -139.93 141.63 36.46 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.644 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -81.01 151.87 28.21 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 122.2 1.0 . . . . 0.0 111.79 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -131.84 74.44 1.59 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 127.363 2.265 . . . . 0.0 107.512 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -78.86 117.86 20.36 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.201 1.8 . . . . 0.0 109.928 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -141.85 93.5 2.56 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 126.225 1.81 . . . . 0.0 109.632 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -120.49 147.21 45.43 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.649 1.18 . . . . 0.0 110.896 -172.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.65 36.62 6.06 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.146 0.879 . . . . 0.0 112.502 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.422 HD11 HG23 ' B' ' 12' ' ' VAL . 0.9 OUTLIER -137.05 -161.85 1.22 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.803 1.241 . . . . 0.0 110.724 -175.637 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.0 p -138.23 -178.28 5.21 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.17 -37.68 88.12 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.2 p -66.54 -25.68 66.78 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.913 -0.492 . . . . 0.0 112.145 173.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -81.17 -34.41 32.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.662 1.185 . . . . 0.0 111.595 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -58.59 -45.32 89.35 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.483 -0.76 . . . . 0.0 111.037 166.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.29 -26.94 65.4 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.33 -51.99 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.85 0.75 . . . . 0.0 110.648 170.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.475 HD23 HG11 ' B' ' 12' ' ' VAL . 62.6 tp -59.55 -46.59 88.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.284 0.634 . . . . 0.0 111.105 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -59.28 -55.49 34.14 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.322 1.049 . . . . 0.0 111.709 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.53 -19.68 76.52 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 118.953 -0.915 . . . . 0.0 114.879 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -96.26 -39.84 9.46 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.662 1.231 . . . . 0.0 112.597 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.1 m -124.21 -23.62 4.5 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -155.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.82 23.32 0.08 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -169.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.24 118.2 4.18 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.385 1.074 . . . . 0.0 110.163 174.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 49.68 58.56 5.3 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.071 1.748 . . . . 0.0 114.309 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 tt -63.48 151.33 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 1.2 mp -110.06 -55.81 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 127.753 2.421 . . . . 0.0 107.473 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -139.21 146.08 40.07 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.566 0.698 . . . . 0.0 112.573 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 tp -139.35 128.06 23.28 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 127.55 2.34 . . . . 0.0 108.408 170.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.21 136.62 52.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.67 1.988 . . . . 0.0 107.093 168.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.491 HD13 HG22 ' B' ' 12' ' ' VAL . 41.1 tp -142.66 127.17 17.87 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 171.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.43 146.08 49.12 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 123.738 0.815 . . . . 0.0 109.242 173.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -62.08 152.26 33.24 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.635 155.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -132.33 134.03 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 121.724 0.773 . . . . 0.0 109.231 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--O 1.248 0.98 0 C-N-CA 128.568 2.747 . . . . 0.0 109.561 -166.647 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 t -144.15 171.58 14.1 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.783 1.633 . . . . 0.0 108.818 169.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -45.52 139.37 3.84 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.698 1.599 . . . . 0.0 113.561 -156.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -98.68 134.93 40.9 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.07 1.348 . . . . 0.0 109.19 166.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 t -127.49 92.69 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 126.0 1.72 . . . . 0.0 109.373 175.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.5 m -78.73 100.05 6.91 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.5 ttm -124.42 141.11 52.33 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.314 0.646 . . . . 0.0 110.628 -174.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.8 tp -137.64 128.53 27.21 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 127.174 2.19 . . . . 0.0 109.432 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -130.75 175.28 9.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.189 1.396 . . . . 0.0 110.318 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -136.71 119.88 16.66 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.381 0.673 . . . . 0.0 111.159 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -66.02 162.23 19.86 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.014 0.925 . . . . 0.0 112.05 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.19 -21.56 66.61 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -76.5 -8.56 57.42 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 170.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.74 6.49 60.7 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 125.463 1.506 . . . . 0.0 114.004 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -80.89 116.53 20.91 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.888 0.875 . . . . 0.0 110.653 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -78.9 136.79 37.39 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.119 172.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -142.03 144.29 33.56 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.354 0.597 . . . . 0.0 111.079 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -146.2 165.69 28.44 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.305 -174.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.77 161.73 37.02 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.739 158.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -80.43 87.17 5.67 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 125.105 1.362 . . . . 0.0 108.683 161.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.18 91.78 6.77 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -125.42 167.43 14.97 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -164.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.81 34.93 66.01 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.665 -174.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -135.83 -162.97 1.33 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.399 1.08 . . . . 0.0 110.474 -173.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.9 p -138.83 -179.4 5.81 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 120.941 -1.099 . . . . 0.0 113.493 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.7 -34.7 76.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -70.19 -26.91 64.11 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.187 -0.945 . . . . 0.0 113.131 173.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -80.59 -31.38 36.74 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 123.521 0.728 . . . . 0.0 112.347 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -59.23 -47.05 86.77 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.226 0.611 . . . . 0.0 110.972 166.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.89 -30.74 70.35 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.4 t -68.92 -50.45 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.34 168.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.6 tp -54.27 -50.9 66.2 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.36 0.982 . . . . 0.0 112.137 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -61.34 -37.63 83.98 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.33 1.052 . . . . 0.0 112.657 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.6 -26.19 43.61 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -85.92 -41.23 15.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.148 0.979 . . . . 0.0 111.169 -177.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.6 p -69.99 -48.0 59.96 Favored 'General case' 0 C--O 1.221 -0.403 0 O-C-N 123.504 0.502 . . . . 0.0 112.309 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.94 0.7 0.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 118.25 2.685 . . . . 0.0 118.25 172.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -80.88 45.6 0.83 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.513 1.525 . . . . 0.0 112.748 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 65.33 -5.77 0.42 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.35 2.66 . . . . 0.0 117.373 157.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm 62.91 142.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 127.559 2.344 . . . . 0.0 113.373 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.6 mm -119.59 -49.53 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 113.845 -1.525 . . . . 0.0 108.354 168.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -136.02 152.54 51.02 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-O 121.694 0.759 . . . . 0.0 111.628 170.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.8 tp -148.53 131.24 15.97 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.44 1.896 . . . . 0.0 108.126 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttt-85 -135.58 143.03 45.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.651 1.18 . . . . 0.0 107.904 166.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -141.32 147.31 37.93 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.715 0.806 . . . . 0.0 109.476 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -153.09 129.32 10.48 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.322 -172.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.437 ' HE3' HD13 ' B' ' 48' ' ' ILE 0.255 6.5 ptpt -70.96 18.27 0.06 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 173.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.326 -0.438 0 C-N-CA 130.817 3.647 . . . . 0.0 115.69 177.931 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--O 1.235 0.306 0 CA-C-O 123.446 1.594 . . . . 0.0 113.144 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.7 m 141.07 -172.68 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 128.23 2.612 . . . . 0.0 107.826 -144.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -89.52 172.81 8.71 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 122.718 1.247 . . . . 0.0 109.635 149.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.44 146.22 49.6 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 129.265 3.026 . . . . 0.0 106.845 172.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -133.35 142.23 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 127.109 2.163 . . . . 0.0 109.733 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -138.93 140.36 38.3 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.254 1.422 . . . . 0.0 108.249 167.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.7 tpp -145.8 148.92 33.45 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.647 0.779 . . . . 0.0 109.241 -169.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -141.96 121.95 13.69 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.177 0.991 . . . . 0.0 109.442 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.453 ' CD1' HD13 ' B' ' 47' ' ' ILE . 1.6 mm? -118.75 171.51 8.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.431 1.892 . . . . 0.0 110.622 -173.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -136.82 118.98 15.49 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 124.005 0.922 . . . . 0.0 110.59 172.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.51 160.4 22.35 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.709 0.804 . . . . 0.0 111.601 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.24 -25.83 65.96 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -76.74 -0.36 23.44 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.527 0.731 . . . . 0.0 112.866 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.45 6.37 70.88 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.81 1.672 . . . . 0.0 114.349 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -87.79 115.19 25.07 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.849 1.26 . . . . 0.0 110.47 -175.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -75.83 140.37 42.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.662 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -143.16 148.71 36.98 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 122.36 1.076 . . . . 0.0 111.797 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -112.33 142.84 44.35 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.727 2.011 . . . . 0.0 110.466 -171.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -153.85 109.55 3.23 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.228 -167.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -121.69 150.16 42.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.634 0.73 . . . . 0.0 110.995 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -152.31 104.48 2.94 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.698 1.199 . . . . 0.0 109.599 -170.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -90.22 168.37 11.99 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.008 0.923 . . . . 0.0 109.617 171.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.32 38.48 91.49 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 119.588 -0.562 . . . . 0.0 114.314 169.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.05 -162.65 1.28 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.176 0.99 . . . . 0.0 111.596 -177.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 28.7 p -133.34 176.55 8.43 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.21 -0.931 . . . . 0.0 113.102 -176.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.35 -37.23 82.6 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 49.2 m -65.01 -30.5 71.49 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -77.61 -31.4 52.86 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.04 0.936 . . . . 0.0 112.062 175.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -61.2 -45.28 95.24 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.742 -0.599 . . . . 0.0 111.893 167.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -60.93 -31.21 70.75 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.15 -51.22 62.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.009 169.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.22 -53.29 59.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.356 0.98 . . . . 0.0 111.013 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -57.63 -49.07 77.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.708 1.203 . . . . 0.0 112.131 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.51 -28.52 35.66 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-O 119.19 -0.783 . . . . 0.0 115.012 -171.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -89.71 -39.78 12.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.767 1.283 . . . . 0.0 111.626 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 38.2 m -81.3 -50.66 9.25 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 119.424 -0.322 . . . . 0.0 110.677 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.89 -1.12 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 119.888 3.292 . . . . 0.0 119.888 164.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -64.94 92.17 0.1 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.708 1.203 . . . . 0.0 113.395 -171.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 66.99 -35.08 0.24 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 129.474 3.11 . . . . 0.0 115.814 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' B' ' 16' ' ' LEU . 18.4 mm 56.8 107.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 127.399 2.279 . . . . 0.0 112.11 -170.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.437 HD13 ' HE3' ' A' ' 54' ' ' LYS . 45.5 mm -108.14 -51.76 7.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.817 -177.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -140.75 156.38 46.2 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.394 1.077 . . . . 0.0 109.487 170.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 pp -152.7 164.94 36.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.886 0.85 . . . . 0.0 111.278 154.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -142.07 145.83 34.77 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.259 2.224 . . . . 0.0 109.519 173.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 tt -142.56 144.82 33.07 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.982 1.313 . . . . 0.0 109.501 164.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.86 134.84 35.58 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.48 1.512 . . . . 0.0 107.616 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -68.04 139.82 56.29 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.572 0.701 . . . . 0.0 109.265 154.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -124.73 145.71 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 125.551 1.54 . . . . 0.0 109.347 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.247 0.926 0 C-N-CA 128.316 2.647 . . . . 0.0 113.075 -169.179 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t70 . . . . . 0 CA--C 1.532 0.264 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t -155.92 -177.36 6.52 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.642 1.577 . . . . 0.0 110.604 -169.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -42.93 131.55 4.14 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.479 1.511 . . . . 0.0 113.178 -167.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 26.4 t70 -77.47 148.23 35.49 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.008 156.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -135.06 92.71 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 125.921 1.688 . . . . 0.0 108.443 159.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 m -68.36 124.22 22.92 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 165.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.53 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 1.8 tpp -139.24 148.5 43.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.775 0.798 . . . . 0.0 111.495 -177.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.53 ' N ' ' HG3' ' A' ' 14' ' ' MET . 0.1 OUTLIER -149.07 128.33 12.9 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.123 -176.362 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.35 168.31 10.75 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 113.574 -1.648 . . . . 0.0 109.308 175.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -86.45 156.6 20.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.543 153.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.15 177.76 8.36 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 122.022 0.915 . . . . 0.0 112.333 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.0 -19.39 64.3 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 -161.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.8 -5.06 27.33 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 171.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.06 13.89 65.5 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 124.587 1.089 . . . . 0.0 113.075 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -128.72 156.59 43.27 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 125.169 1.388 . . . . 0.0 110.241 -171.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -81.12 150.54 28.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.391 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -141.41 141.16 33.76 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.969 0.89 . . . . 0.0 111.115 176.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -132.15 133.18 43.96 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.003 -1.453 . . . . 0.0 110.308 -159.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.0 159.44 44.21 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 122.525 1.155 . . . . 0.0 112.41 165.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -83.87 139.91 32.33 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 112.857 -1.974 . . . . 0.0 111.716 161.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -126.7 81.09 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.011 0.924 . . . . 0.0 108.509 172.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -103.39 167.77 9.6 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -170.534 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.15 37.09 91.19 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.806 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.97 -167.37 1.94 Allowed 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.463 1.105 . . . . 0.0 109.613 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 p -139.08 179.6 6.41 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 120.886 -1.134 . . . . 0.0 112.939 -173.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.66 -26.63 68.47 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.8 p -77.94 -24.8 48.12 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 171.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -79.16 -32.51 44.31 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.964 1.306 . . . . 0.0 111.305 171.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.403 ' HE1' HD11 ' A' ' 50' ' ' LEU . 23.0 t80 -59.19 -43.27 92.21 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.861 0.864 . . . . 0.0 111.759 167.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -60.91 -28.79 69.17 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.3 t -69.37 -49.09 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 119.135 -0.459 . . . . 0.0 110.573 170.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.3 tp -59.37 -48.0 83.31 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.696 0.68 . . . . 0.0 111.466 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -67.63 -23.01 65.3 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.03 -25.3 27.23 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-O 119.513 -0.604 . . . . 0.0 114.468 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -118.71 -21.93 7.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.928 0.864 . . . . 0.0 113.109 -167.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.2 m -129.2 -6.64 4.85 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -164.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.1 18.89 0.06 Allowed 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.42 113.27 5.84 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.291 1.036 . . . . 0.0 113.118 -176.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 59.02 53.73 5.4 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 126.651 1.98 . . . . 0.0 112.673 -172.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.5 tt -64.46 151.63 9.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.0 mm -135.34 -57.3 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.745 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.456 ' HB2' HD23 ' A' ' 15' ' ' LEU . 37.3 mttm -138.56 157.54 45.96 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-O 122.061 0.934 . . . . 0.0 111.853 176.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.403 HD11 ' HE1' ' A' ' 36' ' ' PHE . 6.1 tt -154.93 123.72 6.15 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.239 1.816 . . . . 0.0 107.872 -176.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -130.52 90.84 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.263 1.425 . . . . 0.0 108.662 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.2 tt -81.33 138.23 35.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.388 165.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -149.9 129.41 13.05 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -55.76 153.34 8.38 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-O 122.963 1.363 . . . . 0.0 111.967 170.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.447 -0.613 0 CA-C-N 113.511 -1.677 . . . . 0.0 111.662 -179.193 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -98.94 -176.25 3.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.886 2.074 . . . . 0.0 109.535 162.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -43.68 134.64 4.17 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.971 1.308 . . . . 0.0 112.166 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -95.44 130.6 42.2 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 124.743 1.217 . . . . 0.0 109.962 169.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -115.6 124.91 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 124.804 1.241 . . . . 0.0 108.194 167.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 86.8 m -122.98 95.26 4.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 125.546 1.538 . . . . 0.0 107.067 172.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.3 ttp -113.46 147.37 37.98 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.119 0.967 . . . . 0.0 109.156 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -131.79 134.26 45.63 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.152 1.381 . . . . 0.0 109.525 -175.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -124.38 169.07 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.209 1.403 . . . . 0.0 109.952 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -108.05 136.52 47.59 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 122.815 1.293 . . . . 0.0 111.411 173.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.92 160.93 27.03 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.567 1.547 . . . . 0.0 110.944 175.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -65.07 -21.07 66.76 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.8 -13.62 59.84 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 169.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.77 5.19 58.76 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.956 1.265 . . . . 0.0 114.126 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -76.52 165.86 24.21 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 117.769 0.785 . . . . 0.0 110.011 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -89.02 151.9 22.0 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.906 -0.496 . . . . 0.0 110.394 169.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -138.21 157.77 45.62 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.098 0.951 . . . . 0.0 111.228 160.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -103.73 150.32 24.16 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.538 -171.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -131.44 73.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 128.112 2.565 . . . . 0.0 107.497 166.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -86.53 120.71 28.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.406 1.482 . . . . 0.0 110.162 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -142.96 84.55 1.84 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 126.915 2.086 . . . . 0.0 110.633 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -68.78 143.7 54.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.94 164.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.91 51.31 4.82 Favored Glycine 0 CA--C 1.519 0.299 0 O-C-N 123.394 0.434 . . . . 0.0 113.925 163.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.88 -162.8 1.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.206 0.603 . . . . 0.0 109.746 172.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -137.73 177.6 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.057 -1.027 . . . . 0.0 112.32 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.25 -32.52 73.23 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -174.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -71.76 -31.93 67.15 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 173.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -75.56 -32.57 60.44 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.272 0.629 . . . . 0.0 111.619 174.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.81 -40.32 97.0 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.612 -0.68 . . . . 0.0 111.673 170.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.63 -36.34 76.15 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 173.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.88 -48.16 80.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 119.033 -0.508 . . . . 0.0 110.797 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 50.4 tp -58.82 -54.05 51.48 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.239 1.016 . . . . 0.0 112.48 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.43 -41.7 97.59 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.35 -31.23 76.52 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.39 -0.672 . . . . 0.0 114.629 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -86.54 -24.79 25.35 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 118.04 0.92 . . . . 0.0 112.728 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 55.2 m -66.74 -63.89 0.97 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.107 0.563 . . . . 0.0 111.221 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 46.77 33.26 2.05 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -114.03 -179.41 3.63 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.785 1.234 . . . . 0.0 111.146 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.4 90.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 125.712 1.605 . . . . 0.0 112.029 -176.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -64.31 131.1 29.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 124.479 1.112 . . . . 0.0 110.816 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mm -116.3 -53.62 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 113.225 -1.807 . . . . 0.0 108.088 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -142.56 151.85 41.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.756 0.822 . . . . 0.0 109.687 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tp -148.07 110.96 4.8 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.369 1.068 . . . . 0.0 108.796 171.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.38 107.17 15.87 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.19 1.396 . . . . 0.0 109.061 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.8 tt -105.47 139.43 40.1 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 123.292 0.637 . . . . 0.0 109.487 169.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -151.91 104.27 2.99 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -167.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -57.99 139.97 53.33 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 122.462 1.125 . . . . 0.0 111.972 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.5 t -129.49 145.74 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.356 -1.747 . . . . 0.0 107.104 160.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 C--O 1.249 1.038 0 CA-C-N 114.5 -1.227 . . . . 0.0 112.083 -161.485 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 120.644 0.259 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 86.76 -142.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.749 2.02 . . . . 0.0 109.589 -164.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -105.51 170.77 7.7 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 123.604 1.669 . . . . 0.0 112.808 168.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -129.53 129.04 43.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 130.453 3.501 . . . . 0.0 107.966 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.86 121.59 61.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 125.219 1.408 . . . . 0.0 109.144 -175.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.1 m -123.9 102.46 7.8 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -175.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.5 ttm -126.97 149.46 49.85 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.534 0.683 . . . . 0.0 112.039 -164.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 tt -136.94 106.9 6.27 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.017 1.727 . . . . 0.0 109.817 -174.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -108.63 164.41 12.39 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.649 0.738 . . . . 0.0 110.467 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -104.69 121.76 44.25 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.15 1.38 . . . . 0.0 110.95 170.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -79.48 173.12 12.91 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.737 2.415 . . . . 0.0 112.638 176.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -64.93 -24.34 67.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.72 -6.21 59.35 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.365 0.666 . . . . 0.0 112.663 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.04 19.45 79.78 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.014 0.816 . . . . 0.0 114.29 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -85.1 -26.82 26.69 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.491 1.116 . . . . 0.0 112.823 -173.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 70.8 145.73 0.06 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 128.906 2.882 . . . . 0.0 112.557 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -141.04 135.54 31.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.928 0.871 . . . . 0.0 111.64 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -114.48 132.14 56.38 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 127.586 2.354 . . . . 0.0 109.373 -173.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -150.44 142.56 24.07 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.763 0.792 . . . . 0.0 112.952 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -92.45 138.87 31.15 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.146 1.378 . . . . 0.0 110.8 173.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -145.37 98.52 3.16 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.276 1.43 . . . . 0.0 109.651 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.23 170.31 10.39 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.37 32.4 57.98 Favored Glycine 0 CA--C 1.525 0.659 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.66 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 pp -139.35 171.2 14.62 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 126.005 1.722 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 p -113.46 -179.79 3.74 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -162.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.3 mt -56.61 -39.86 74.33 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.401 0.681 . . . . 0.0 112.432 175.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.1 m -66.07 -30.47 70.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.997 0.919 . . . . 0.0 112.997 175.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -82.33 -34.88 28.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.587 1.155 . . . . 0.0 111.371 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.14 -46.79 82.4 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.384 1.074 . . . . 0.0 111.048 165.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.46 -29.87 68.11 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.781 0.832 . . . . 0.0 113.201 175.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.3 t -68.06 -55.41 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 118.575 0.625 . . . . 0.0 109.889 169.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.07 -42.89 95.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.242 0.928 . . . . 0.0 112.85 -177.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -69.63 -38.43 77.2 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.301 1.04 . . . . 0.0 112.829 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.79 -20.46 24.09 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 115.64 1.016 . . . . 0.0 115.64 -169.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -104.77 -24.9 12.85 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.682 1.241 . . . . 0.0 113.391 -172.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 83.3 m -68.29 -33.17 73.86 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.254 1.021 . . . . 0.0 112.444 -170.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.54 -0.26 0.06 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.198 2.599 . . . . 0.0 117.455 176.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -72.3 146.99 46.81 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.169 0.895 . . . . 0.0 110.481 162.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -66.81 116.11 7.33 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.875 0.47 . . . . 0.0 111.247 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.38 128.14 32.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 123.989 0.916 . . . . 0.0 111.244 176.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.3 mm -112.69 -49.77 5.75 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 127.604 2.362 . . . . 0.0 108.568 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -138.32 154.85 48.98 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.842 0.83 . . . . 0.0 111.299 169.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 tt -157.9 132.18 8.21 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.428 1.491 . . . . 0.0 108.302 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.407 HH21 ' CG ' ' A' ' 53' ' ' ASP . 25.1 mmm-85 -125.18 142.5 51.46 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 126.541 1.937 . . . . 0.0 108.645 164.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 tp -133.63 127.52 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.76 2.024 . . . . 0.0 105.695 169.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.407 ' CG ' HH21 ' A' ' 51' ' ' ARG . 1.8 m-20 -132.49 127.04 34.37 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.128 1.371 . . . . 0.0 107.8 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -63.32 121.7 14.38 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 121.144 -0.972 . . . . 0.0 108.51 161.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.332 -0.163 0 CA-C-O 122.266 1.031 . . . . 0.0 109.819 177.664 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.6 t 73.34 170.07 0.31 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.463 1.905 . . . . 0.0 111.425 -161.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -49.1 143.05 6.16 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.708 1.603 . . . . 0.0 114.099 -161.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -112.63 115.65 28.93 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 128.238 2.615 . . . . 0.0 109.311 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.466 HG23 HD11 ' B' ' 31' ' ' LEU . 73.0 t -102.02 124.16 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 C-N-CA 124.401 1.081 . . . . 0.0 108.709 171.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 47.8 m -121.31 95.8 4.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 32.4 ttp -103.22 158.88 16.01 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.331 0.653 . . . . 0.0 111.205 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.87 119.99 8.85 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.036 1.334 . . . . 0.0 110.416 -171.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -117.32 172.58 7.21 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.546 1.538 . . . . 0.0 110.659 -173.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -122.33 136.17 54.85 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.959 0.904 . . . . 0.0 111.609 172.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -82.17 164.84 21.0 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.101 1.76 . . . . 0.0 111.911 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -60.73 -31.18 70.5 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.838 1.255 . . . . 0.0 112.923 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -73.54 -9.78 59.04 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.382 -0.824 . . . . 0.0 112.788 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.74 0.7 66.37 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.393 1.473 . . . . 0.0 114.204 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -80.51 148.55 30.38 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.468 1.134 . . . . 0.0 111.134 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -106.61 138.97 41.81 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 123.59 0.756 . . . . 0.0 110.35 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -140.55 150.26 43.45 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.87 0.843 . . . . 0.0 112.32 -173.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -94.06 156.02 16.8 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.554 1.142 . . . . 0.0 113.087 -173.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -136.53 82.41 1.94 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.352 2.661 . . . . 0.0 108.091 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -79.44 120.29 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.342 1.457 . . . . 0.0 110.264 172.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -140.15 95.76 2.94 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.361 1.464 . . . . 0.0 110.484 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -100.97 165.32 11.39 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.163 0.985 . . . . 0.0 111.902 -173.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.07 61.72 6.3 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.873 1.225 . . . . 0.0 112.849 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.466 HD11 HG23 ' B' ' 12' ' ' VAL . 1.5 pp -140.34 -160.37 1.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.446 1.099 . . . . 0.0 110.584 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.5 p -141.7 179.87 6.58 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.693 -1.254 . . . . 0.0 113.277 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.0 -36.58 84.46 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 94.7 p -68.53 -23.31 64.51 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 172.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -82.55 -36.78 25.98 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.381 1.072 . . . . 0.0 110.926 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -57.93 -41.79 83.48 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.722 -0.611 . . . . 0.0 111.384 167.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.07 -29.92 68.87 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 174.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.53 -52.28 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 118.863 0.756 . . . . 0.0 109.606 170.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 tp -59.87 -51.9 67.73 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.107 0.412 . . . . 0.0 111.242 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.81 -26.36 68.59 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.732 0.813 . . . . 0.0 113.029 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.76 -21.21 48.0 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.188 -0.785 . . . . 0.0 114.935 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -119.23 -27.75 5.58 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.836 1.318 . . . . 0.0 113.695 -173.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.3 m -124.01 -3.94 8.05 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.229 1.412 . . . . 0.0 112.086 -160.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.8 37.19 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.384 1.873 . . . . 0.0 114.044 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -73.49 86.83 1.57 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.472 1.909 . . . . 0.0 111.809 -169.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 61.43 68.78 0.69 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.365 1.866 . . . . 0.0 110.752 -167.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.32 125.47 27.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 126.059 1.744 . . . . 0.0 112.009 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.5 mm -107.68 -41.69 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 128.143 2.577 . . . . 0.0 109.769 -175.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -154.75 165.41 36.69 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 111.577 159.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -146.91 157.59 43.68 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 122.04 0.924 . . . . 0.0 111.425 160.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -117.11 144.32 44.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.827 2.051 . . . . 0.0 108.832 167.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.9 tp -134.25 123.59 24.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.212 1.805 . . . . 0.0 107.523 165.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -139.33 118.06 12.33 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.099 0.959 . . . . 0.0 109.046 -170.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -69.04 96.52 0.8 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.411 0.624 . . . . 0.0 110.699 175.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.69 143.39 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 160.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 25.8 tp . . . . . 0 C--O 1.25 1.123 0 C-N-CA 128.094 2.558 . . . . 0.0 113.482 -169.004 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 123.143 1.449 . . . . 0.0 112.039 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 m 144.6 -175.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.98 2.912 . . . . 0.0 109.437 -150.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -94.75 158.23 15.6 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.604 1.192 . . . . 0.0 109.863 158.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 51' ' ' ARG . 1.7 t0 -107.51 137.71 45.05 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 130.871 3.668 . . . . 0.0 105.714 163.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -130.93 89.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 C-N-CA 127.209 2.204 . . . . 0.0 107.154 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.2 m -96.38 101.62 13.28 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.525 1.13 . . . . 0.0 108.296 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ttp -118.71 161.02 20.79 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.85 0.86 . . . . 0.0 109.868 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pp -152.15 158.82 43.46 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 122.652 1.215 . . . . 0.0 112.136 163.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -135.96 171.09 14.97 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 127.195 2.198 . . . . 0.0 110.039 -169.53 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -119.86 132.11 55.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.757 0.823 . . . . 0.0 110.682 173.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.24 161.38 29.38 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.292 1.037 . . . . 0.0 111.863 174.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.87 -23.71 66.46 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 173.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.21 -2.18 23.72 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.035 0.934 . . . . 0.0 112.92 170.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.97 6.08 76.2 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.397 1.475 . . . . 0.0 114.799 173.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -98.72 150.24 22.01 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.985 0.914 . . . . 0.0 111.475 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -88.58 148.55 24.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.691 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -143.41 143.31 31.57 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 124.049 0.939 . . . . 0.0 110.662 173.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -83.62 153.42 24.29 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 122.454 1.121 . . . . 0.0 112.68 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -129.52 69.73 1.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 128.29 2.636 . . . . 0.0 106.427 164.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -86.39 118.58 25.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.578 1.551 . . . . 0.0 109.564 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -134.11 146.49 50.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 125.271 1.428 . . . . 0.0 108.865 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.63 168.25 23.31 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.27 0.628 . . . . 0.0 110.109 164.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.12 62.27 Favored Glycine 0 CA--C 1.533 1.208 0 O-C-N 123.656 0.597 . . . . 0.0 112.89 -173.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -127.34 -176.95 3.89 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.868 1.667 . . . . 0.0 110.779 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 p -131.67 177.6 7.39 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.431 0.692 . . . . 0.0 112.819 -171.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.53 -33.92 75.88 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.515 -0.74 . . . . 0.0 112.381 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.0 m -71.36 -19.02 62.34 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.909 0.884 . . . . 0.0 113.041 174.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -89.32 -34.77 16.44 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.524 1.13 . . . . 0.0 110.876 174.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.65 -42.1 92.04 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.428 0.691 . . . . 0.0 112.018 166.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -53.43 -38.56 63.62 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.962 1.305 . . . . 0.0 111.794 173.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.2 t -71.35 -49.06 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.183 0.993 . . . . 0.0 111.19 174.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.6 tp -58.11 -50.64 72.77 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.88 0.763 . . . . 0.0 111.75 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -63.44 -37.09 85.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.933 0.493 . . . . 0.0 111.65 175.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.81 -16.16 80.36 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.481 0.952 . . . . 0.0 115.481 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -114.15 -31.3 6.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.936 1.368 . . . . 0.0 113.245 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.3 m -124.48 -9.59 7.43 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -159.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.411 ' HA ' HD21 ' A' ' 16' ' ' LEU . . . -72.96 49.0 0.23 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.722 1.609 . . . . 0.0 114.359 -178.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.67 -68.92 0.17 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.153 2.181 . . . . 0.0 112.859 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -131.96 82.08 2.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.157 1.383 . . . . 0.0 109.388 171.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.09 145.02 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 113.59 -1.641 . . . . 0.0 110.319 -170.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 mm -125.58 -60.97 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 C-N-CA 124.975 1.31 . . . . 0.0 108.481 -169.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -135.93 152.28 50.83 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.685 1.194 . . . . 0.0 111.137 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 tt -151.72 128.73 11.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.666 1.586 . . . . 0.0 108.278 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.551 HH12 ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -138.55 88.76 2.32 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 125.685 1.594 . . . . 0.0 109.017 178.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -83.91 136.26 34.16 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.759 0.824 . . . . 0.0 109.307 166.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -151.83 118.55 5.75 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.152 1.381 . . . . 0.0 110.497 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -59.59 115.48 3.34 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.502 -0.749 . . . . 0.0 110.231 165.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 C--O 1.235 0.324 0 CA-C-O 122.699 1.238 . . . . 0.0 110.1 -177.684 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -145.64 179.33 7.5 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 127.887 2.475 . . . . 0.0 107.69 -173.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -36.35 122.54 0.75 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.066 1.746 . . . . 0.0 113.567 -169.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.02 125.38 29.31 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.517 1.127 . . . . 0.0 108.049 165.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.36 130.95 67.76 Favored 'Isoleucine or valine' 0 C--O 1.231 0.079 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 159.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 97.1 m -133.09 93.43 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.3 ttp -112.87 159.91 18.57 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.501 1.12 . . . . 0.0 111.002 -171.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -150.76 120.89 7.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.091 0.956 . . . . 0.0 110.823 -170.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -119.89 174.19 6.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.561 1.944 . . . . 0.0 110.691 -172.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -127.26 124.8 39.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 111.385 -176.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -87.29 176.92 7.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.461 1.504 . . . . 0.0 112.27 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -64.2 -23.37 67.29 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -90.21 -7.33 53.82 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.065 0.848 . . . . 0.0 111.573 173.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.42 19.38 79.47 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.19 0.9 . . . . 0.0 113.425 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -73.7 -30.81 63.08 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.349 1.075 . . . . 0.0 112.555 -173.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 77.39 138.91 0.07 Allowed 'General case' 0 C--O 1.233 0.198 0 C-N-CA 129.932 3.293 . . . . 0.0 111.986 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -134.18 147.34 50.74 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 122.361 1.077 . . . . 0.0 111.975 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -116.01 132.16 56.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.953 1.701 . . . . 0.0 110.401 -161.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -128.09 75.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 126.645 1.978 . . . . 0.0 109.008 -169.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -78.15 121.28 24.11 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.195 1.398 . . . . 0.0 110.331 167.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -145.73 93.28 2.33 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.663 1.985 . . . . 0.0 109.836 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -106.22 160.7 15.14 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.237 1.015 . . . . 0.0 111.018 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.81 36.58 18.71 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.993 -0.337 . . . . 0.0 112.656 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 pp -133.44 -165.57 1.64 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.335 1.454 . . . . 0.0 110.609 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.4 p -140.46 -177.67 5.15 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.092 -1.005 . . . . 0.0 113.063 173.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.4 mt -57.72 -36.25 71.77 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -166.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 20.0 p -69.41 -30.17 68.07 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.38 -0.825 . . . . 0.0 113.035 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -78.06 -31.8 50.47 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.608 1.163 . . . . 0.0 112.389 172.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -58.84 -47.02 86.32 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.513 -0.742 . . . . 0.0 110.955 165.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.04 -28.48 69.09 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.45 -51.74 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 119.08 0.855 . . . . 0.0 110.861 169.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.95 -49.77 76.36 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.407 0.683 . . . . 0.0 111.973 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -60.45 -45.47 93.58 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.131 1.373 . . . . 0.0 111.639 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.14 -26.57 72.5 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 118.463 -1.187 . . . . 0.0 114.835 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -96.06 -12.79 24.33 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.96 1.38 . . . . 0.0 113.89 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 81.1 p -119.47 -105.54 0.39 Allowed 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.28 0.491 . . . . 0.0 110.754 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 48.49 14.59 0.07 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.051 2.14 . . . . 0.0 114.903 -167.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.04 99.89 0.39 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.817 2.447 . . . . 0.0 112.419 -170.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 47.89 44.78 18.59 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.159 1.383 . . . . 0.0 111.332 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.6 tt -53.06 149.29 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 125.727 1.611 . . . . 0.0 114.457 -166.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.1 mm -124.02 -56.59 2.38 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 C-N-CA 127.08 2.152 . . . . 0.0 108.716 -170.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -135.55 156.31 49.09 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.588 0.631 . . . . 0.0 111.474 173.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.4 tp -150.03 105.87 3.43 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.049 1.74 . . . . 0.0 107.501 169.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -98.18 140.86 31.84 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.803 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 tt -139.47 143.49 37.56 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.83 0.852 . . . . 0.0 109.563 166.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -149.62 117.21 6.17 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.694 1.198 . . . . 0.0 109.451 -175.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -63.56 153.44 35.76 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 122.704 1.24 . . . . 0.0 112.123 175.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -120.59 157.63 23.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.725 -1.58 . . . . 0.0 107.408 172.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 tp . . . . . 0 C--O 1.251 1.14 0 C-N-CA 129.074 2.95 . . . . 0.0 114.313 -175.788 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--O 1.236 0.361 0 CA-C-O 123.714 1.721 . . . . 0.0 115.211 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.0 m 137.6 -170.51 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.24 2.616 . . . . 0.0 108.244 -143.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -92.0 147.47 22.93 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.242 1.02 . . . . 0.0 110.229 162.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -101.04 120.23 39.9 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 128.522 2.729 . . . . 0.0 107.731 166.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.7 t -124.94 101.8 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 124.343 1.057 . . . . 0.0 110.022 -174.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.0 m -102.19 94.35 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.01 1.324 . . . . 0.0 108.631 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.0 ttm -96.7 160.67 14.25 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.459 0.704 . . . . 0.0 110.423 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.64 119.32 8.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.094 0.958 . . . . 0.0 109.878 -176.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 44' ' ' ALA . 1.3 mm? -116.23 177.1 4.81 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.221 1.409 . . . . 0.0 110.513 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -131.35 136.22 47.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.047 0.939 . . . . 0.0 111.011 176.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -77.1 162.69 27.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 124.781 1.233 . . . . 0.0 111.503 173.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.43 -27.27 68.99 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.62 -7.44 54.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.474 1.109 . . . . 0.0 112.796 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.39 2.05 66.01 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.929 1.252 . . . . 0.0 114.072 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -70.9 118.95 14.33 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 118.451 1.126 . . . . 0.0 110.36 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -83.76 134.39 34.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.404 0.282 . . . . 0.0 110.682 173.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -139.9 144.74 37.32 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 122.275 1.036 . . . . 0.0 111.901 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -83.82 154.36 23.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.32 -1.309 . . . . 0.0 112.653 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -134.3 83.99 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 127.582 2.353 . . . . 0.0 107.956 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -74.2 130.01 38.93 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.629 1.171 . . . . 0.0 110.943 172.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -138.98 72.8 1.41 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 122.496 1.141 . . . . 0.0 110.728 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -81.83 57.42 3.43 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.872 2.069 . . . . 0.0 112.213 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.54 50.08 0.02 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 115.677 1.031 . . . . 0.0 115.677 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp -128.28 -176.73 3.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.527 0.731 . . . . 0.0 111.357 172.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.9 p -114.78 175.44 5.49 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.278 -0.889 . . . . 0.0 112.949 -173.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.8 mt -62.1 -33.05 73.73 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.7 m -67.61 -34.62 77.37 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 171.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -78.23 -30.77 48.96 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.719 0.807 . . . . 0.0 111.651 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -61.97 -42.71 99.44 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.584 0.754 . . . . 0.0 111.265 168.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.54 -30.61 71.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.148 0.885 . . . . 0.0 112.885 174.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -67.86 -49.98 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 121.712 -0.617 . . . . 0.0 110.731 168.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.6 -49.59 74.45 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.68 0.792 . . . . 0.0 111.594 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -69.58 -17.14 63.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.724 1.209 . . . . 0.0 113.511 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.78 -37.92 4.57 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.274 0.94 . . . . 0.0 113.935 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -102.57 -30.44 10.96 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.587 1.155 . . . . 0.0 113.197 -171.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.8 m -117.4 -10.59 10.68 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.663 0.785 . . . . 0.0 112.549 -163.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.477 ' HA ' HD11 ' A' ' 16' ' ' LEU . . . -70.42 37.42 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.593 1.957 . . . . 0.0 114.834 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.73 94.06 0.99 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.86 1.664 . . . . 0.0 111.92 -172.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 55.09 72.67 0.46 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 126.173 1.789 . . . . 0.0 111.906 -167.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.74 152.5 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 114.429 -1.26 . . . . 0.0 113.701 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mm -129.39 -58.33 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 126.894 2.077 . . . . 0.0 108.086 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -130.78 160.96 32.83 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.093 0.949 . . . . 0.0 112.738 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 tp -151.19 126.24 9.83 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.003 1.721 . . . . 0.0 109.456 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -117.73 135.26 54.15 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.683 1.593 . . . . 0.0 107.936 163.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 tt -138.53 135.19 34.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.66 0.784 . . . . 0.0 108.988 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -149.82 116.32 5.81 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 123.556 0.742 . . . . 0.0 109.394 -165.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -62.01 107.34 0.85 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.875 0.761 . . . . 0.0 110.287 167.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.3 t . . . . . 0 CA--C 1.518 -0.264 0 C-N-CA 124.95 1.3 . . . . 0.0 107.814 167.013 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 p30 . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 121.679 0.752 . . . . 0.0 112.67 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -130.97 175.47 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 127.137 2.175 . . . . 0.0 110.824 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -43.1 133.34 3.88 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 125.635 1.574 . . . . 0.0 113.37 -164.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.32 104.99 16.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.697 1.599 . . . . 0.0 109.538 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.477 HG22 HD12 ' B' ' 52' ' ' LEU . 41.0 t -102.08 133.94 44.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 C-N-CA 123.774 0.83 . . . . 0.0 109.356 172.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 35.2 m -136.34 102.38 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.516 1.126 . . . . 0.0 108.08 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 56.7 ttp -120.94 159.96 24.48 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.072 0.949 . . . . 0.0 109.521 -174.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -149.33 156.2 41.7 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 122.968 1.366 . . . . 0.0 111.805 170.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -129.75 162.28 28.77 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 127.425 2.29 . . . . 0.0 109.276 -167.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -109.72 139.97 44.14 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.471 0.708 . . . . 0.0 109.93 168.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -157.34 -179.61 8.35 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.651 1.181 . . . . 0.0 110.592 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 32.0 t70 40.19 76.14 0.07 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.336 1.855 . . . . 0.0 113.751 162.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 t0 74.32 3.69 4.38 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.424 2.289 . . . . 0.0 114.087 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.53 10.32 31.43 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.85 0.738 . . . . 0.0 113.551 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -73.14 142.42 47.46 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.26 1.03 . . . . 0.0 110.111 172.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -90.09 142.3 27.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.086 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -129.63 153.52 48.02 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.679 0.752 . . . . 0.0 110.912 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -118.94 142.46 47.75 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.746 1.218 . . . . 0.0 111.475 -158.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -137.8 77.46 1.63 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.698 1.999 . . . . 0.0 109.306 -168.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -82.98 122.15 27.93 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.808 1.643 . . . . 0.0 110.316 170.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -148.09 88.06 1.64 Allowed 'General case' 0 C--O 1.231 0.105 0 C-N-CA 125.914 1.686 . . . . 0.0 110.353 -173.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.2 169.52 10.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.004 172.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.2 34.93 57.57 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.41 0.529 . . . . 0.0 113.403 172.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -131.22 -164.08 1.4 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.553 1.141 . . . . 0.0 110.146 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 19.1 p -140.3 -179.73 6.17 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.036 -1.04 . . . . 0.0 112.86 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.48 -36.14 75.45 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -173.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 66.5 m -69.7 -21.97 63.45 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 174.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -86.34 -34.38 20.29 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.659 1.183 . . . . 0.0 111.065 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -62.14 -41.84 98.67 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.538 -0.726 . . . . 0.0 112.062 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -53.24 -40.74 64.78 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.752 1.221 . . . . 0.0 111.814 172.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.57 -50.36 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 123.303 0.641 . . . . 0.0 111.636 172.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.66 -50.18 72.86 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.566 0.746 . . . . 0.0 111.818 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -59.88 -62.91 1.52 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.038 0.935 . . . . 0.0 110.566 172.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.5 -24.09 61.29 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.42 0.928 . . . . 0.0 115.42 -171.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -89.19 -16.78 30.51 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.831 1.315 . . . . 0.0 113.21 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -128.83 -21.54 3.36 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -160.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.56 25.57 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 -165.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.2 -37.79 75.48 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.221 1.409 . . . . 0.0 114.337 -172.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -144.47 49.8 1.31 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 122.945 1.355 . . . . 0.0 109.798 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.69 138.29 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.208 -171.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.7 mm -118.42 -51.86 4.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 125.015 1.326 . . . . 0.0 110.611 -170.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -136.94 147.96 46.68 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 123.966 0.907 . . . . 0.0 111.912 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.1 tt -152.26 134.72 15.26 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.997 1.319 . . . . 0.0 109.963 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.08 133.09 46.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 127.149 2.18 . . . . 0.0 109.073 174.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.477 HD12 HG22 ' B' ' 12' ' ' VAL . 4.6 tt -143.95 142.86 30.97 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.217 1.407 . . . . 0.0 110.092 168.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 41.7 p30 -142.32 160.4 40.33 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.517 0.675 . . . . 0.0 112.492 149.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.25 122.9 19.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.958 -1.019 . . . . 0.0 108.477 153.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -75.59 144.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.794 -170.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.25 1.105 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -167.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.087 0.47 . . . . 0.0 111.665 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.2 t -163.66 -178.95 6.08 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.423 1.889 . . . . 0.0 109.747 -174.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -43.05 132.5 4.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.516 1.526 . . . . 0.0 112.849 -168.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -100.73 115.87 31.29 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.227 2.611 . . . . 0.0 108.932 171.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.24 98.12 6.55 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.086 0 C-N-CA 125.082 1.353 . . . . 0.0 109.279 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.2 m -91.42 99.42 12.38 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 170.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.8 ttp -103.04 162.42 12.95 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.181 0.592 . . . . 0.0 110.753 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.11 118.83 6.57 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.633 0.773 . . . . 0.0 111.088 -169.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -117.79 174.66 6.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.644 1.578 . . . . 0.0 110.587 -176.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -122.32 129.73 52.45 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.246 1.018 . . . . 0.0 110.826 172.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.35 161.02 30.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.424 1.489 . . . . 0.0 111.755 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -62.09 -21.47 65.0 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -76.38 -14.54 60.07 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 121.252 -0.905 . . . . 0.0 113.013 170.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.58 5.62 53.79 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 127.103 2.287 . . . . 0.0 114.062 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -81.38 125.82 30.87 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.532 1.533 . . . . 0.0 110.123 -177.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -80.24 137.51 36.65 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.278 -0.264 . . . . 0.0 110.641 172.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.77 144.67 35.61 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 121.72 0.771 . . . . 0.0 112.154 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -83.79 151.94 24.91 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.495 1.118 . . . . 0.0 112.324 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -133.55 86.21 2.27 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.291 2.636 . . . . 0.0 107.869 171.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -77.25 118.46 19.77 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.101 1.36 . . . . 0.0 110.399 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -136.49 98.04 3.72 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.937 1.295 . . . . 0.0 110.401 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 166.01 15.39 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.776 1.23 . . . . 0.0 113.042 -171.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.45 42.26 95.93 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.583 0.611 . . . . 0.0 111.848 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 pp -138.85 -164.49 1.66 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.149 0.979 . . . . 0.0 110.59 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 p -138.38 179.13 6.64 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.504 -1.373 . . . . 0.0 113.462 -174.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.32 -37.99 82.33 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.34 -0.85 . . . . 0.0 112.954 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.6 m -67.63 -25.72 65.88 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.553 -0.717 . . . . 0.0 112.923 174.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -84.07 -33.81 24.34 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.703 1.201 . . . . 0.0 110.92 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -59.28 -42.53 91.46 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.224 -0.923 . . . . 0.0 111.403 166.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -59.79 -27.69 66.79 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.97 -50.6 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.257 0.623 . . . . 0.0 110.49 169.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.5 tp -55.31 -49.98 70.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.328 0.651 . . . . 0.0 111.361 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -62.11 -34.85 77.1 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.433 1.093 . . . . 0.0 112.6 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.89 -23.84 58.97 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 119.237 -0.757 . . . . 0.0 114.834 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -111.95 -27.23 8.52 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.588 1.194 . . . . 0.0 113.709 -171.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 m -129.4 -6.85 4.74 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.641 0.776 . . . . 0.0 112.69 -160.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.59 25.18 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -71.07 107.01 3.92 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.777 2.031 . . . . 0.0 111.724 -174.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 57.93 58.62 3.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.837 1.655 . . . . 0.0 112.129 -171.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 tp -58.65 128.31 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 127.777 2.431 . . . . 0.0 113.155 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.5 mm -119.65 -60.51 2.55 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 C-N-CA 128.372 2.669 . . . . 0.0 107.449 -177.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -133.11 159.06 41.21 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.247 1.022 . . . . 0.0 112.325 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 tt -152.28 126.6 9.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.331 1.453 . . . . 0.0 108.118 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.13 89.46 2.92 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 125.828 1.651 . . . . 0.0 108.867 174.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.9 tt -89.17 136.1 33.2 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 169.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -148.91 113.37 5.3 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.329 1.452 . . . . 0.0 110.377 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -54.79 121.62 8.96 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.285 1.034 . . . . 0.0 110.538 168.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 167.067 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.5 m -135.84 -176.36 4.27 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.527 1.931 . . . . 0.0 111.46 -165.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -47.74 123.12 5.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.343 1.457 . . . . 0.0 111.662 -174.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -81.0 134.22 35.64 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 163.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.13 134.63 62.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 C-N-CA 123.894 0.877 . . . . 0.0 108.768 167.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 51.2 m -133.38 95.77 3.58 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.522 1.929 . . . . 0.0 106.856 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 49.8 ttp -110.6 157.74 19.34 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.875 0.87 . . . . 0.0 109.853 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 pp -148.76 146.99 28.3 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 122.593 1.187 . . . . 0.0 112.134 171.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -119.03 175.88 5.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.633 1.973 . . . . 0.0 109.087 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -119.86 146.89 45.33 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.817 0.847 . . . . 0.0 112.754 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -143.97 175.23 10.18 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.764 1.625 . . . . 0.0 110.722 175.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 27.9 t70 30.9 72.19 0.07 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 128.471 2.708 . . . . 0.0 115.26 159.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 t70 77.83 -3.52 2.37 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.965 2.506 . . . . 0.0 114.162 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.75 6.22 3.74 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.729 1.157 . . . . 0.0 114.267 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -69.42 106.99 3.15 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.305 1.053 . . . . 0.0 109.813 174.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.59 142.36 35.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.53 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -134.34 145.63 49.19 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.969 0.907 . . . . 0.0 110.973 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -104.31 154.22 20.07 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 122.52 1.152 . . . . 0.0 113.385 -162.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -135.94 76.44 1.61 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 128.986 2.915 . . . . 0.0 108.055 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.84 124.65 27.25 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.253 1.421 . . . . 0.0 109.619 168.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -142.7 86.55 1.95 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.765 1.626 . . . . 0.0 109.378 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -83.3 153.53 24.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.168 1.387 . . . . 0.0 111.736 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.53 53.58 44.86 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.562 1.077 . . . . 0.0 113.853 169.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pp -133.09 -170.69 2.51 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.087 0.955 . . . . 0.0 110.751 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 13.1 p -127.75 176.21 7.72 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 120.887 -1.133 . . . . 0.0 113.113 -175.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.25 -33.66 76.33 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 120.745 -1.222 . . . . 0.0 112.665 -172.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.3 m -66.59 -27.6 67.85 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -81.8 -35.04 29.95 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.808 1.243 . . . . 0.0 110.988 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.04 -42.43 98.45 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.448 -0.783 . . . . 0.0 111.69 169.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.62 -37.79 68.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.61 0.764 . . . . 0.0 113.009 173.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.4 t -65.19 -50.1 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.011 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.67 -55.02 40.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.143 0.977 . . . . 0.0 111.673 178.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -62.1 -29.7 70.5 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.143 0.977 . . . . 0.0 112.778 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.72 -17.26 68.49 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-O 118.438 -1.201 . . . . 0.0 115.364 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -120.91 -23.35 5.92 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.455 1.627 . . . . 0.0 114.608 -173.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.7 m -127.83 -10.04 5.5 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -162.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.59 47.29 0.17 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.033 1.733 . . . . 0.0 113.111 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.85 -67.6 0.42 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.242 1.817 . . . . 0.0 113.445 -166.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -120.04 70.61 0.88 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.696 1.199 . . . . 0.0 107.97 171.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.55 125.84 39.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 124.827 1.251 . . . . 0.0 112.694 -163.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 47.9 mm -109.35 -66.01 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 127.206 2.202 . . . . 0.0 107.549 -176.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -129.7 146.88 51.44 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.205 0.911 . . . . 0.0 111.315 -173.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 tt -149.83 110.94 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.111 1.364 . . . . 0.0 108.67 -174.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.28 121.85 45.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.497 1.519 . . . . 0.0 108.997 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tt -120.69 139.32 53.21 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.382 1.073 . . . . 0.0 108.531 168.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -149.61 112.35 4.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.57 1.148 . . . . 0.0 109.7 -173.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -53.86 137.11 39.39 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.018 0.927 . . . . 0.0 113.2 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 18.9 t -116.87 157.86 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 149.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.8 tp . . . . . 0 C--O 1.25 1.119 0 C-N-CA 126.321 1.848 . . . . 0.0 110.503 -174.86 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 CA--C 1.539 0.538 0 CA-C-O 121.84 0.828 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -159.17 -174.1 4.55 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.986 2.114 . . . . 0.0 108.958 -176.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -39.79 129.24 2.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.162 1.785 . . . . 0.0 114.646 -163.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 12.6 t0 -92.2 113.08 25.26 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 126.088 1.755 . . . . 0.0 107.901 171.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.465 HG11 HD23 ' A' ' 39' ' ' LEU . 43.8 t -97.57 135.48 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 122.156 0.979 . . . . 0.0 109.016 160.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.7 m -134.47 94.91 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp -113.46 164.36 13.72 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.045 0.938 . . . . 0.0 110.51 -172.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.64 123.68 6.91 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.123 0.569 . . . . 0.0 110.61 -169.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -122.72 173.07 7.97 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.486 1.514 . . . . 0.0 111.391 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -125.44 133.58 52.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.259 1.023 . . . . 0.0 110.269 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -78.61 164.68 24.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.508 1.523 . . . . 0.0 112.055 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.03 -32.26 66.0 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.9 1.68 . . . . 0.0 112.602 172.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -72.99 -1.49 17.29 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.177 0.991 . . . . 0.0 112.522 173.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.16 2.18 90.49 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 125.41 1.481 . . . . 0.0 113.687 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.32 126.63 31.39 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 125.225 1.41 . . . . 0.0 110.71 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -87.06 137.22 32.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.585 0.354 . . . . 0.0 110.49 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -135.86 144.61 45.72 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.848 0.832 . . . . 0.0 111.202 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -85.32 153.76 22.35 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.921 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -134.71 75.5 1.58 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 128.097 2.559 . . . . 0.0 107.957 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -74.45 120.79 20.5 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.087 1.355 . . . . 0.0 110.035 169.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -144.11 98.32 3.2 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.899 0.879 . . . . 0.0 109.941 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -118.17 163.45 16.64 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.929 0.892 . . . . 0.0 111.538 -169.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.93 36.53 73.58 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 116.383 -0.371 . . . . 0.0 112.194 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -130.82 -157.11 0.8 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.09 0.956 . . . . 0.0 110.622 -175.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.5 p -142.67 179.27 7.08 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 120.884 -1.135 . . . . 0.0 113.086 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.46 -34.91 78.79 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.314 -0.866 . . . . 0.0 112.695 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.9 m -66.42 -28.4 68.59 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.758 0.423 . . . . 0.0 111.753 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -80.09 -33.96 38.38 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.406 1.082 . . . . 0.0 111.546 175.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -62.5 -42.36 99.45 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.34 -0.85 . . . . 0.0 111.768 168.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.5 -35.51 70.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.003 0.921 . . . . 0.0 112.288 173.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.52 -52.83 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.193 0.597 . . . . 0.0 110.147 171.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.465 HD23 HG11 ' A' ' 12' ' ' VAL . 65.8 tp -55.87 -51.61 66.95 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.627 0.649 . . . . 0.0 112.084 -178.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.52 -47.89 83.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.396 1.079 . . . . 0.0 111.251 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.92 -27.71 70.05 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.732 0.682 . . . . 0.0 114.641 -176.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -79.98 -39.53 29.9 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.753 1.277 . . . . 0.0 111.002 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.6 m -69.25 -47.32 65.01 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.974 0.509 . . . . 0.0 110.542 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.95 27.31 5.42 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.909 2.484 . . . . 0.0 115.754 168.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -125.71 165.08 19.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.015 0.926 . . . . 0.0 111.299 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -66.13 103.02 0.89 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.279 1.432 . . . . 0.0 111.202 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.73 145.17 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 125.427 1.491 . . . . 0.0 112.604 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.3 mm -98.63 -57.54 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 126.117 1.767 . . . . 0.0 108.522 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -136.75 151.1 48.83 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.346 1.058 . . . . 0.0 110.871 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 tp -150.44 116.6 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.993 1.717 . . . . 0.0 107.936 178.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -115.56 141.82 47.56 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 123.903 0.881 . . . . 0.0 108.99 165.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.46 HD12 HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -139.32 140.02 37.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 124.085 0.866 . . . . 0.0 109.644 161.413 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.94 151.86 36.55 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.324 0.583 . . . . 0.0 112.249 165.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -65.95 155.09 37.56 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.025 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 122.986 1.374 . . . . 0.0 114.037 179.443 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 121.493 0.663 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.49 168.57 0.08 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.89 1.276 . . . . 0.0 112.809 -157.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -56.02 152.59 10.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.68 1.229 . . . . 0.0 113.349 -168.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.69 123.39 43.69 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 126.356 1.862 . . . . 0.0 109.009 -178.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.437 HG11 HD23 ' B' ' 39' ' ' LEU . 84.9 t -122.74 143.51 35.36 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 125.527 1.531 . . . . 0.0 110.704 -177.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 81.8 m -138.0 101.02 4.32 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 125.266 1.426 . . . . 0.0 107.803 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 26.2 ttp -109.05 157.74 18.41 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.353 0.661 . . . . 0.0 110.6 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -148.21 116.13 6.41 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.74 0.816 . . . . 0.0 110.024 -173.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -117.26 170.81 8.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.363 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -121.15 127.44 51.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.174 1.39 . . . . 0.0 110.167 171.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -77.54 166.79 22.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.337 1.055 . . . . 0.0 111.506 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -65.75 -19.27 65.83 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -83.26 -0.78 51.11 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.884 0.874 . . . . 0.0 113.037 170.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.21 0.2 74.26 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.945 1.736 . . . . 0.0 114.083 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -83.81 130.21 34.93 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.68 1.74 . . . . 0.0 110.955 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -84.71 139.4 32.03 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.512 0.725 . . . . 0.0 111.064 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -141.51 145.65 35.44 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.804 0.811 . . . . 0.0 111.817 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -86.67 152.22 22.75 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 124.427 1.091 . . . . 0.0 112.323 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -134.15 77.06 1.68 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 128.455 2.702 . . . . 0.0 107.979 172.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -70.39 128.5 36.4 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.668 0.787 . . . . 0.0 109.716 166.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -142.38 89.39 2.15 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 124.504 1.121 . . . . 0.0 109.821 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -91.33 135.17 34.0 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.952 1.301 . . . . 0.0 110.525 176.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.55 51.91 3.33 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 124.426 1.012 . . . . 0.0 112.519 169.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.65 -163.65 1.45 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.426 1.09 . . . . 0.0 110.796 176.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 33.0 p -132.12 174.85 9.77 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 120.474 -1.391 . . . . 0.0 112.398 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 19.6 mt -59.93 -37.07 78.43 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.416 -0.803 . . . . 0.0 112.388 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 33.0 m -63.56 -25.26 68.16 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 173.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -87.51 -32.42 19.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.896 1.278 . . . . 0.0 111.481 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.81 -41.75 96.32 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.569 -0.707 . . . . 0.0 111.513 167.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -58.53 -33.72 70.18 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.777 0.831 . . . . 0.0 112.435 173.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -70.42 -51.94 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.503 170.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.437 HD23 HG11 ' B' ' 12' ' ' VAL . 50.6 tp -52.4 -56.73 13.04 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.34 1.056 . . . . 0.0 111.917 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -64.1 -39.75 94.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.5 1.12 . . . . 0.0 112.195 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.47 -25.54 60.87 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.423 -0.654 . . . . 0.0 114.703 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -100.74 -27.28 13.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.399 1.099 . . . . 0.0 113.668 -171.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 63.0 m -71.15 -33.47 70.08 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -169.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.65 -1.2 0.08 Allowed 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 117.407 2.373 . . . . 0.0 117.407 169.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -76.6 160.2 29.63 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.57 1.077 . . . . 0.0 111.575 170.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.35 116.23 4.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.74 1.216 . . . . 0.0 111.042 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.96 124.19 39.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 124.908 1.283 . . . . 0.0 112.83 -173.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 25.6 mm -112.19 -51.37 5.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 C-N-CA 127.992 2.517 . . . . 0.0 108.752 -170.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -140.69 154.79 46.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.254 1.021 . . . . 0.0 111.293 172.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -147.1 156.15 42.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 122.317 1.056 . . . . 0.0 112.255 153.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -136.19 139.35 42.76 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.05 2.14 . . . . 0.0 108.521 170.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.7 tt -137.97 135.65 36.2 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 126.209 1.804 . . . . 0.0 108.579 166.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -134.0 135.16 43.24 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 125.029 1.332 . . . . 0.0 109.144 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 149.61 50.15 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.137 157.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 29.3 m -99.42 127.08 52.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.453 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 C--O 1.247 0.973 0 C-N-CA 128.271 2.628 . . . . 0.0 113.91 -174.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 N--CA 1.468 0.475 0 CA-C-O 121.552 0.692 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.1 p -146.69 169.16 19.61 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.453 1.901 . . . . 0.0 110.136 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CZ ' HD21 ' A' ' 33' ' ' LEU . 37.1 m-85 -44.66 140.71 2.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.197 2.199 . . . . 0.0 114.143 -155.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -104.75 116.48 32.09 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 125.631 1.573 . . . . 0.0 109.516 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.23 88.39 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.377 1.471 . . . . 0.0 110.615 -172.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.4 m -82.17 127.71 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.023 0.929 . . . . 0.0 108.66 176.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.4 ttm -137.3 145.12 43.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 118.593 0.633 . . . . 0.0 111.126 -174.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.3 141.79 43.85 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 122.865 1.317 . . . . 0.0 111.644 170.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 47' ' ' ILE . 17.9 mt -135.84 171.15 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.541 1.937 . . . . 0.0 108.935 -167.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -121.33 129.68 53.22 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.85 0.833 . . . . 0.0 111.788 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -74.97 160.5 30.49 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.088 1.355 . . . . 0.0 111.479 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -63.17 -21.88 66.5 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 175.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -82.99 1.43 39.9 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.455 0.702 . . . . 0.0 112.57 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.97 0.96 73.7 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.803 1.668 . . . . 0.0 114.216 175.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -78.71 131.32 36.56 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 118.102 0.951 . . . . 0.0 110.192 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -92.5 116.01 28.61 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.699 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -113.38 142.66 45.62 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.874 0.845 . . . . 0.0 110.4 -175.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -126.82 134.16 50.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.988 1.715 . . . . 0.0 109.358 -160.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -150.82 148.59 28.67 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.968 0.89 . . . . 0.0 112.377 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.83 138.86 32.88 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.923 1.289 . . . . 0.0 110.699 176.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -138.21 84.75 2.05 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.566 0.747 . . . . 0.0 109.303 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 169.92 8.31 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.699 0.8 . . . . 0.0 112.912 -178.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.02 43.87 96.72 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 123.459 0.552 . . . . 0.0 111.77 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 pp -136.91 -175.41 4.02 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.905 1.282 . . . . 0.0 110.44 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 p -133.93 -178.25 4.93 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 121.114 -0.991 . . . . 0.0 112.254 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.447 HD21 ' CZ ' ' A' ' 10' ' ' TYR . 2.9 mm? -68.18 -28.84 67.63 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -164.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.2 p -68.29 -27.06 65.98 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -79.36 -33.13 43.22 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.315 1.046 . . . . 0.0 111.697 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -63.7 -41.07 98.17 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.779 -0.576 . . . . 0.0 111.531 169.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.19 -28.98 68.41 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.631 0.773 . . . . 0.0 113.013 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.8 t -69.13 -50.93 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 118.711 0.687 . . . . 0.0 110.317 170.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.2 tp -55.89 -52.37 64.3 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.091 0.86 . . . . 0.0 111.265 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -63.25 -33.66 75.97 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.703 1.201 . . . . 0.0 113.195 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.39 -19.6 48.69 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.463 1.029 . . . . 0.0 115.244 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -118.28 -26.21 6.37 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.543 1.172 . . . . 0.0 113.523 -170.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 m -123.0 -14.82 7.51 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.863 0.465 . . . . 0.0 112.149 -162.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.41 31.05 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.689 2.395 . . . . 0.0 115.949 -175.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.02 100.36 1.22 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.735 2.414 . . . . 0.0 111.171 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 53.55 76.59 0.21 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.616 1.966 . . . . 0.0 112.56 -159.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.52 ' HA ' HD23 ' A' ' 16' ' ' LEU . 9.6 tp -65.61 131.59 31.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 125.864 1.666 . . . . 0.0 112.478 166.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.0 mm -124.79 -55.91 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 126.93 2.092 . . . . 0.0 107.542 -176.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.482 ' HE2' ' OD1' ' B' ' 53' ' ' ASP . 20.6 ttmt -143.93 147.06 33.43 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 118.979 0.809 . . . . 0.0 111.504 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.29 148.33 36.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.168 163.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 102.98 5.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 126.109 1.764 . . . . 0.0 108.68 -177.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.6 tt -110.15 132.18 54.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.476 1.91 . . . . 0.0 109.102 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.86 144.0 48.66 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 123.863 0.865 . . . . 0.0 109.372 165.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 148.56 51.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.294 -0.962 . . . . 0.0 110.145 153.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.9 m . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 121.209 0.528 . . . . 0.0 111.131 -167.359 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t0 . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.94 174.66 10.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.879 0.872 . . . . 0.0 112.641 -172.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.587 ' CZ ' HD21 ' B' ' 33' ' ' LEU . 42.8 m-85 -46.14 145.5 1.59 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.026 2.13 . . . . 0.0 111.877 -163.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -81.93 149.79 28.04 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 121.822 -0.549 . . . . 0.0 110.56 154.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.1 t -135.55 87.83 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 125.765 1.626 . . . . 0.0 107.392 161.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 61.4 m -65.52 118.64 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 165.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 54.3 ttm -134.17 144.94 48.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 119.085 0.857 . . . . 0.0 110.556 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.36 130.25 30.38 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.115 173.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -119.72 165.45 14.51 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.272 1.429 . . . . 0.0 109.979 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -111.48 119.91 40.37 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.595 1.158 . . . . 0.0 110.303 169.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.451 ' HA ' ' OD1' ' B' ' 45' ' ' ASP . 7.9 p-10 -75.34 172.83 11.77 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.834 2.053 . . . . 0.0 112.658 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -60.76 -28.69 68.91 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.302 1.441 . . . . 0.0 113.805 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -90.82 -5.37 55.7 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.581 -0.699 . . . . 0.0 112.707 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.23 16.48 69.21 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.863 -0.965 . . . . 0.0 114.654 171.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -70.72 -33.21 70.62 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.773 1.286 . . . . 0.0 112.709 -172.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 67.77 133.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 128.188 2.595 . . . . 0.0 112.314 -170.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -138.62 152.91 48.53 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.424 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -137.0 137.98 40.01 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 126.547 1.939 . . . . 0.0 109.934 -164.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -154.58 145.53 22.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.406 0.622 . . . . 0.0 111.778 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -83.95 103.59 13.32 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.521 1.128 . . . . 0.0 109.913 166.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -94.66 82.3 3.93 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -113.23 167.89 10.18 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.241 1.016 . . . . 0.0 113.392 -168.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.43 35.95 69.01 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.895 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 pp -143.07 -173.51 3.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.809 1.243 . . . . 0.0 110.561 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -132.28 -175.58 3.79 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.26 -0.9 . . . . 0.0 113.147 -169.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.587 HD21 ' CZ ' ' B' ' 10' ' ' TYR . 3.8 mm? -74.28 -26.54 60.26 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 121.002 -1.061 . . . . 0.0 113.4 -166.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 37.7 p -74.12 -24.52 59.46 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.309 1.044 . . . . 0.0 112.541 167.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -81.0 -35.04 32.48 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.124 0.97 . . . . 0.0 111.07 174.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -58.33 -43.38 88.19 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.938 0.895 . . . . 0.0 111.667 164.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -56.92 -36.2 69.92 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.293 1.037 . . . . 0.0 112.423 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -68.22 -51.62 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 123.394 0.678 . . . . 0.0 110.731 171.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.52 -52.34 64.01 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.949 0.795 . . . . 0.0 112.382 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -67.73 -23.21 65.23 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.636 1.175 . . . . 0.0 113.192 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.37 -34.84 6.85 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.786 0.708 . . . . 0.0 114.379 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -96.86 -26.1 15.21 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -167.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 61.1 m -72.42 -33.9 67.44 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -167.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 59.5 -11.49 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.334 2.654 . . . . 0.0 117.665 172.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.451 ' OD1' ' HA ' ' B' ' 18' ' ' ASP . 23.0 m-20 -68.65 155.94 39.11 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.522 1.056 . . . . 0.0 111.143 166.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -72.66 127.23 31.92 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.945 0.498 . . . . 0.0 111.398 -168.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 tp -71.51 122.77 24.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 C-N-CA 124.692 1.197 . . . . 0.0 112.813 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 48.1 mm -114.75 -48.4 4.93 Favored 'Isoleucine or valine' 0 C--N 1.338 0.097 0 C-N-CA 127.204 2.202 . . . . 0.0 108.949 -176.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -146.6 145.37 30.06 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 123.564 0.746 . . . . 0.0 112.355 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 tp -150.16 122.39 8.36 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.682 1.593 . . . . 0.0 109.431 177.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -128.45 93.92 3.76 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 125.227 1.411 . . . . 0.0 109.591 173.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.7 tt -86.0 136.28 33.32 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.407 1.083 . . . . 0.0 109.691 171.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.482 ' OD1' ' HE2' ' A' ' 49' ' ' LYS . 30.1 t70 -152.28 111.73 3.92 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.795 0.838 . . . . 0.0 111.281 -172.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.504 ' HB2' ' CE2' ' B' ' 10' ' ' TYR . 28.2 tptp -60.05 104.15 0.28 Allowed 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 122.999 1.38 . . . . 0.0 110.281 163.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.5 m -57.84 165.57 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 112.069 -2.332 . . . . 0.0 111.424 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.248 1.016 0 C-N-CA 125.768 1.627 . . . . 0.0 112.855 179.542 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 t0 . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 p -148.0 171.47 15.76 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.503 2.321 . . . . 0.0 108.861 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -48.35 154.66 0.59 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.76 1.624 . . . . 0.0 115.002 -158.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.78 108.04 12.58 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.614 1.966 . . . . 0.0 110.011 -171.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.57 HG22 HD13 ' A' ' 52' ' ' LEU . 24.9 t -101.28 140.23 20.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 124.6 1.16 . . . . 0.0 109.702 174.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.7 m -136.91 99.56 4.06 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.512 1.125 . . . . 0.0 108.195 166.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.5 mtm -98.66 166.93 11.1 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.347 168.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -151.58 151.51 31.64 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 122.467 1.127 . . . . 0.0 111.185 166.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -128.68 178.58 6.23 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 127.569 2.347 . . . . 0.0 108.955 -175.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -127.37 142.33 51.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.662 0.785 . . . . 0.0 110.508 173.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -139.32 -178.58 5.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.514 1.526 . . . . 0.0 110.392 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.1 t0 28.93 76.42 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 128.019 2.528 . . . . 0.0 114.322 156.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 t70 72.76 0.5 3.67 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.78 2.032 . . . . 0.0 114.297 171.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.13 4.68 5.44 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 125.11 1.338 . . . . 0.0 113.586 -177.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -60.14 107.29 0.62 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.821 1.648 . . . . 0.0 110.104 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -70.35 138.16 51.18 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 168.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -139.71 151.19 45.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.69 0.757 . . . . 0.0 111.278 171.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -103.06 152.36 21.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.988 -172.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -133.46 77.55 1.73 Allowed 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.569 1.948 . . . . 0.0 107.765 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -98.98 129.14 45.26 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.539 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -148.57 99.67 3.03 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 126.062 1.745 . . . . 0.0 108.608 -167.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.9 171.32 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.443 0.697 . . . . 0.0 111.897 174.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.56 40.16 54.58 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 123.583 0.611 . . . . 0.0 112.123 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.434 HD11 HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -139.02 -167.15 2.16 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.645 1.178 . . . . 0.0 110.407 -178.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -132.71 178.05 7.15 Favored 'General case' 0 C--O 1.232 0.175 0 O-C-N 120.824 -1.173 . . . . 0.0 112.712 -176.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.27 -37.25 79.89 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.285 -0.885 . . . . 0.0 113.245 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.9 m -70.72 -18.62 62.8 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -89.23 -34.18 16.72 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.498 1.119 . . . . 0.0 110.974 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -58.04 -44.05 87.18 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.852 -0.53 . . . . 0.0 111.355 166.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -57.55 -32.68 67.34 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.48 -48.08 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 122.986 0.514 . . . . 0.0 110.851 173.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.505 HD23 HG11 ' A' ' 12' ' ' VAL . 59.0 tp -59.8 -49.28 78.32 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.247 1.019 . . . . 0.0 111.468 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.82 -46.79 84.2 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.512 0.725 . . . . 0.0 111.213 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.69 -17.06 70.68 Favored Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.456 0.942 . . . . 0.0 115.456 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -110.36 -31.83 7.16 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.963 1.381 . . . . 0.0 113.772 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 m -126.22 -14.93 5.86 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -156.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.43 28.33 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.85 109.01 1.12 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.536 1.534 . . . . 0.0 112.289 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 52.97 42.85 32.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.863 1.665 . . . . 0.0 113.072 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.406 HG12 ' N ' ' A' ' 48' ' ' ILE . 6.5 tt -53.32 156.23 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 125.529 1.532 . . . . 0.0 115.129 -171.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.406 ' N ' HG12 ' A' ' 47' ' ' ILE . 45.3 mm -116.94 -64.42 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 C-N-CA 127.899 2.48 . . . . 0.0 108.527 -177.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -133.34 155.56 49.22 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 122.036 0.922 . . . . 0.0 112.131 175.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.87 120.46 8.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 113.075 -1.875 . . . . 0.0 108.789 173.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -106.72 139.21 41.51 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.369 1.467 . . . . 0.0 109.332 170.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.57 HD13 HG22 ' A' ' 12' ' ' VAL . 55.4 tp -134.48 146.43 49.76 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.347 1.059 . . . . 0.0 108.902 164.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.53 133.36 30.72 Favored 'General case' 0 C--O 1.241 0.605 0 C-N-CA 126.844 2.058 . . . . 0.0 107.106 177.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.9 148.45 47.75 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 116.977 -1.889 . . . . 0.0 108.714 148.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.553 -172.813 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 122.052 0.93 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.7 m -140.39 -174.88 4.07 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.943 1.697 . . . . 0.0 110.528 -170.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -63.07 148.06 48.94 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.193 0.521 . . . . 0.0 110.048 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -99.43 155.19 17.67 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 152.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.5 t -128.03 89.37 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.744 1.218 . . . . 0.0 108.097 163.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 3.7 m -64.94 128.96 37.92 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 165.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.5 ttm -143.14 146.1 33.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 122.107 0.956 . . . . 0.0 111.764 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -125.29 112.88 16.89 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 126.389 1.876 . . . . 0.0 109.447 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.56 165.32 11.9 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 113.955 -1.475 . . . . 0.0 109.803 176.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -119.59 121.5 39.46 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.745 1.218 . . . . 0.0 109.227 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.77 163.36 14.26 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 122.408 1.099 . . . . 0.0 110.599 175.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -32.36 67.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.038 1.735 . . . . 0.0 113.021 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -75.76 -7.3 54.07 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.09 0.556 . . . . 0.0 112.228 174.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.36 3.25 63.26 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.433 1.492 . . . . 0.0 113.694 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -77.98 119.9 22.07 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 118.182 0.991 . . . . 0.0 110.663 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -82.46 132.12 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.536 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -134.55 125.13 26.67 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 122.255 1.026 . . . . 0.0 112.139 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -98.99 130.06 45.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 126.223 1.809 . . . . 0.0 110.302 -172.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -141.01 139.71 34.19 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.642 0.777 . . . . 0.0 111.749 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.18 133.85 33.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.366 159.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -119.9 76.07 1.13 Allowed 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 122.178 0.99 . . . . 0.0 108.497 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -77.9 161.41 27.6 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.762 1.625 . . . . 0.0 111.196 -175.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.79 30.73 63.33 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.797 -0.638 . . . . 0.0 113.101 171.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 16.0 mt -115.96 -179.05 3.55 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.835 1.254 . . . . 0.0 111.847 -171.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 13.3 p -134.33 179.39 6.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.412 -0.805 . . . . 0.0 111.148 171.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.61 -34.24 75.29 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -66.83 -26.73 67.06 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 173.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -87.64 -29.42 21.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.378 1.071 . . . . 0.0 111.574 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -58.83 -44.73 90.99 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.565 -0.709 . . . . 0.0 111.049 165.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.38 -27.88 67.76 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 175.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.74 -53.96 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 118.419 0.554 . . . . 0.0 110.348 171.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.99 -53.59 56.65 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.097 0.408 . . . . 0.0 111.396 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.53 -53.35 58.51 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.02 0.928 . . . . 0.0 111.269 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.92 -24.05 69.79 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-O 119.25 -0.75 . . . . 0.0 114.895 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -98.25 -26.41 14.54 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.409 1.104 . . . . 0.0 113.118 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.0 -14.38 6.09 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -155.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.31 24.6 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -168.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -79.05 98.08 6.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.434 1.894 . . . . 0.0 111.184 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 62.01 52.4 3.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.566 1.947 . . . . 0.0 112.444 -164.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.86 129.39 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.136 160.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.8 mm -105.7 -49.03 8.99 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 C-N-CA 124.221 1.009 . . . . 0.0 109.405 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -142.66 156.26 45.03 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.789 0.836 . . . . 0.0 111.3 171.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 pp -148.05 157.37 43.47 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.256 0.551 . . . . 0.0 110.867 155.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -143.38 94.42 2.61 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 127.086 2.154 . . . . 0.0 107.866 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tt -81.14 139.93 35.31 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.852 0.861 . . . . 0.0 109.636 167.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -148.82 122.16 9.02 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.988 0.915 . . . . 0.0 110.235 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -65.56 92.15 0.14 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 122.32 1.057 . . . . 0.0 108.301 160.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.37 -0.65 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 -159.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.254 1.308 0 C-N-CA 129.26 3.024 . . . . 0.0 112.971 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -146.24 177.76 8.76 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.899 0.88 . . . . 0.0 112.219 171.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 54' ' ' LYS . 38.7 m-85 -50.23 149.31 2.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.713 1.605 . . . . 0.0 113.787 -163.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -87.73 140.63 29.31 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.112 0.965 . . . . 0.0 110.276 163.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 t -135.32 85.57 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.833 1.653 . . . . 0.0 107.726 164.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.5 m -77.76 116.58 18.39 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 2.9 tpp -127.58 155.52 43.72 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.485 0.66 . . . . 0.0 110.236 -170.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' N ' ' HG3' ' A' ' 14' ' ' MET . 3.2 pp -135.06 144.79 47.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.786 0.834 . . . . 0.0 111.918 158.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.82 155.55 42.43 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.947 1.699 . . . . 0.0 109.641 -168.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -69.84 123.89 22.62 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.221 0.534 . . . . 0.0 111.721 175.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -71.7 164.71 25.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.525 1.93 . . . . 0.0 111.907 168.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -53.63 -34.95 60.3 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.867 1.267 . . . . 0.0 113.21 169.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.74 -3.6 26.23 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.603 1.161 . . . . 0.0 113.268 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.47 1.61 80.73 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.26 1.41 . . . . 0.0 114.455 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -92.03 147.61 22.82 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 118.672 1.236 . . . . 0.0 111.671 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -73.86 113.04 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 123.624 0.77 . . . . 0.0 109.14 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -105.27 140.84 37.81 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.648 0.737 . . . . 0.0 110.048 174.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -97.74 135.68 39.18 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 126.807 2.043 . . . . 0.0 110.503 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -151.03 125.66 9.6 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.105 0.955 . . . . 0.0 112.203 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -69.64 134.95 49.32 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.326 168.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -130.8 79.85 1.92 Allowed 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 124.064 0.946 . . . . 0.0 108.508 167.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.7 164.21 13.99 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.165 0.986 . . . . 0.0 111.498 -176.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.31 36.76 59.5 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 pp -138.56 170.86 15.26 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 125.834 1.653 . . . . 0.0 109.884 175.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.1 p -114.75 178.57 4.23 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -170.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.96 -25.53 64.59 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.615 -1.303 . . . . 0.0 114.189 -169.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.6 p -75.12 -27.27 59.74 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.646 0.779 . . . . 0.0 112.799 169.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -76.89 -33.73 57.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.51 1.124 . . . . 0.0 110.91 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -60.02 -43.09 95.49 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.255 1.022 . . . . 0.0 112.033 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -55.21 -38.56 68.58 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 172.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.98 -44.99 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 123.892 0.877 . . . . 0.0 110.821 175.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.48 -52.49 65.43 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.03 0.832 . . . . 0.0 111.444 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -57.81 -47.21 83.26 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.545 0.738 . . . . 0.0 111.458 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.12 -24.97 63.8 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.048 1.309 . . . . 0.0 115.219 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -95.5 -1.01 51.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.847 1.259 . . . . 0.0 114.039 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.1 p -53.88 -53.72 48.59 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.12 0.873 . . . . 0.0 112.984 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.37 -5.51 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 128.877 2.871 . . . . 0.0 117.832 170.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -130.93 -177.84 4.55 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 128.204 2.602 . . . . 0.0 111.116 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.03 88.34 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.967 1.307 . . . . 0.0 113.514 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 tp -65.5 122.17 15.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 129.093 2.957 . . . . 0.0 110.864 168.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.3 mm -114.18 -66.47 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 C-N-CA 126.252 1.821 . . . . 0.0 109.029 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -133.23 138.79 46.65 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.333 1.424 . . . . 0.0 113.067 -170.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 tt -146.67 119.93 8.94 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.245 2.218 . . . . 0.0 108.571 -170.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -126.44 91.7 3.41 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.699 1.6 . . . . 0.0 110.188 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 tt -82.79 138.14 34.09 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.824 0.85 . . . . 0.0 110.146 168.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -152.01 118.88 5.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.323 1.449 . . . . 0.0 109.458 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -60.9 144.4 53.03 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-O 121.874 0.845 . . . . 0.0 111.613 173.312 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.396 -179.258 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 C--O 1.234 0.272 0 CA-C-O 123.041 1.401 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.4 m 138.1 -174.91 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.971 2.908 . . . . 0.0 111.205 -144.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -94.52 162.28 13.87 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.179 1.392 . . . . 0.0 109.82 151.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -126.73 126.31 43.26 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 128.198 2.599 . . . . 0.0 107.945 173.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -126.24 97.27 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 C-N-CA 124.546 1.139 . . . . 0.0 109.841 -171.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 10.2 m -90.03 94.39 9.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.233 1.013 . . . . 0.0 108.496 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 54.2 ttm -94.05 154.24 17.73 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.633 0.73 . . . . 0.0 109.954 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -147.3 113.76 5.97 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.705 1.202 . . . . 0.0 109.898 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.42 -173.66 2.35 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.544 1.138 . . . . 0.0 110.421 173.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -118.07 134.14 55.26 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.705 1.202 . . . . 0.0 110.48 167.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.51 161.07 30.79 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.478 1.911 . . . . 0.0 111.461 173.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -55.21 -29.67 58.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.214 1.406 . . . . 0.0 113.105 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -71.89 -3.15 20.78 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.97 0.908 . . . . 0.0 113.357 174.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.02 13.9 78.33 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.266 1.412 . . . . 0.0 113.693 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -107.34 152.15 24.53 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.63 1.572 . . . . 0.0 110.736 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -68.76 152.22 45.61 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 122.023 0.916 . . . . 0.0 112.87 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -136.85 92.46 2.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.644 1.977 . . . . 0.0 108.594 -163.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -81.37 127.63 32.96 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.558 1.943 . . . . 0.0 111.645 -169.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -132.8 79.97 1.87 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.095 1.758 . . . . 0.0 108.589 -173.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -83.47 131.28 35.03 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 111.426 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -140.48 82.11 1.84 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.877 1.271 . . . . 0.0 111.066 -176.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -69.49 166.15 19.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.027 1.331 . . . . 0.0 110.193 166.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.23 26.22 72.66 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.081 -0.844 . . . . 0.0 114.633 159.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.06 -172.75 2.96 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.103 0.961 . . . . 0.0 111.849 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.4 p -127.95 176.97 7.18 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -173.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.21 -42.25 76.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.955 0.902 . . . . 0.0 112.792 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 26.6 m -67.14 -30.7 70.76 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.55 -0.719 . . . . 0.0 112.775 176.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.88 -34.87 57.74 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.748 0.819 . . . . 0.0 111.2 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -58.72 -44.92 90.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.703 1.201 . . . . 0.0 111.82 169.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -57.92 -38.23 75.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.344 0.657 . . . . 0.0 112.053 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -66.41 -49.61 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.144 0.578 . . . . 0.0 111.2 171.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 tp -52.65 -54.92 26.65 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.969 0.908 . . . . 0.0 111.144 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.84 -50.34 73.63 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.421 1.088 . . . . 0.0 111.501 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.09 -17.88 56.42 Favored Glycine 0 CA--C 1.534 1.263 0 N-CA-C 115.537 0.975 . . . . 0.0 115.537 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -111.52 -19.45 12.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.844 1.258 . . . . 0.0 113.875 -175.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.49 -13.44 2.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -161.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.56 48.48 0.19 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -172.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.36 98.0 11.52 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.528 1.531 . . . . 0.0 111.392 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 64.62 71.52 0.46 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.563 1.945 . . . . 0.0 111.625 -172.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tt -72.94 137.56 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.412 1.485 . . . . 0.0 113.616 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 37.8 mm -120.01 -58.09 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 129.562 3.145 . . . . 0.0 108.037 -175.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -137.02 160.4 39.04 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.538 1.063 . . . . 0.0 112.751 174.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tt -151.33 113.01 4.43 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.761 1.225 . . . . 0.0 109.306 173.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 94.02 4.72 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 123.982 0.913 . . . . 0.0 109.805 176.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tt -92.53 132.42 36.84 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.35 0.66 . . . . 0.0 109.271 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -146.41 120.58 9.5 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.092 1.357 . . . . 0.0 110.709 -174.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -61.13 113.3 2.5 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 121.175 -0.953 . . . . 0.0 110.153 165.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.6 t -74.37 152.56 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.245 0.845 0 C-N-CA 125.834 1.654 . . . . 0.0 112.854 -171.285 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 123.625 1.679 . . . . 0.0 113.023 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m 154.6 -175.22 0.0 OUTLIER 'General case' 0 C--O 1.237 0.421 0 C-N-CA 128.893 2.877 . . . . 0.0 108.214 -154.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -98.55 158.4 15.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 122.414 1.102 . . . . 0.0 111.217 156.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -106.39 148.8 27.66 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.628 1.571 . . . . 0.0 108.145 160.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t -130.21 90.22 1.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 124.523 1.129 . . . . 0.0 108.486 168.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.0 m -75.57 105.42 6.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 170.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 58.3 ttm -125.2 150.24 47.18 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.619 0.768 . . . . 0.0 111.332 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.406 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 1.2 tt -135.77 117.07 14.59 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.655 1.182 . . . . 0.0 111.024 -172.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -116.29 172.29 7.28 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 126.261 1.825 . . . . 0.0 110.86 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -131.04 139.74 49.98 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.435 1.094 . . . . 0.0 110.162 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -152.8 -176.83 5.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.566 0.747 . . . . 0.0 110.252 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 36.22 75.23 0.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.42 2.688 . . . . 0.0 112.918 163.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t70 78.92 -3.32 2.22 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.024 2.129 . . . . 0.0 113.903 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.74 11.01 10.64 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.738 1.161 . . . . 0.0 113.68 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -67.05 102.96 1.07 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.449 1.5 . . . . 0.0 109.423 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -77.81 139.53 39.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.36 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -140.34 133.91 30.18 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.717 0.77 . . . . 0.0 111.645 -175.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.406 ' CZ ' HD12 ' A' ' 15' ' ' LEU . 7.1 m-85 -80.82 151.29 28.79 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.675 169.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -138.2 152.02 48.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.788 1.235 . . . . 0.0 109.956 153.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -120.09 81.55 1.76 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.239 1.416 . . . . 0.0 109.145 -169.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -85.18 71.11 10.92 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.284 0.564 . . . . 0.0 110.754 -168.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -66.45 160.55 24.69 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.788 1.235 . . . . 0.0 111.201 171.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.75 22.26 77.32 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.984 170.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 mt -105.63 -178.58 3.69 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.739 1.216 . . . . 0.0 111.777 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 p -132.44 177.25 7.74 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.73 1.212 . . . . 0.0 111.166 170.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.29 -33.21 75.01 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.279 -0.888 . . . . 0.0 112.978 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.3 m -69.23 -22.54 63.86 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 173.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -89.32 -31.25 17.9 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.388 1.075 . . . . 0.0 111.246 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -58.43 -43.81 88.88 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.617 -0.677 . . . . 0.0 111.102 164.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -56.78 -32.99 66.19 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.358 0.874 . . . . 0.0 113.358 173.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.7 t -68.84 -52.72 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 118.323 0.51 . . . . 0.0 110.396 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.02 -48.58 79.63 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.305 0.502 . . . . 0.0 111.238 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -61.25 -39.98 92.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.436 1.095 . . . . 0.0 112.758 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.47 -12.89 77.45 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 118.866 -0.963 . . . . 0.0 115.215 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -118.24 -28.83 5.7 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.665 1.233 . . . . 0.0 113.501 -174.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -126.25 -24.11 3.74 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -162.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.41 31.55 0.06 Allowed 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -175.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -57.58 -50.61 72.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.378 1.871 . . . . 0.0 113.509 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -122.7 51.76 1.38 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.483 1.513 . . . . 0.0 109.503 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 tp -60.1 126.5 17.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 126.046 1.738 . . . . 0.0 112.757 -172.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mm -110.22 -54.21 5.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.153 0 C-N-CA 127.274 2.23 . . . . 0.0 108.337 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -140.46 154.79 46.76 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 123.641 0.776 . . . . 0.0 111.226 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.41 149.14 34.19 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.946 155.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 ttp-105 -139.72 99.16 3.64 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.472 1.909 . . . . 0.0 108.26 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -99.1 141.17 32.2 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.184 174.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -149.21 124.47 10.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.8 -169.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 112.29 5.92 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 160.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.235 0.325 0 CA-C-O 122.46 1.124 . . . . 0.0 112.896 -156.895 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 CA--C 1.534 0.333 0 CA-C-O 121.03 0.443 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.7 t -168.12 -178.09 3.56 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.114 2.166 . . . . 0.0 108.874 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -39.33 128.3 1.81 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.5 1.92 . . . . 0.0 114.667 -161.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -97.91 94.82 7.1 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 126.606 1.963 . . . . 0.0 109.208 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.88 131.29 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 167.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 91.4 m -134.02 92.79 3.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.715 -1.216 . . . . 0.0 107.715 173.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.2 ttp -112.89 162.65 15.58 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.502 1.121 . . . . 0.0 109.862 -175.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -150.43 156.67 41.91 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 122.109 0.957 . . . . 0.0 111.373 167.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.84 175.67 7.49 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.007 1.723 . . . . 0.0 109.893 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -126.71 134.06 50.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.571 1.148 . . . . 0.0 109.521 171.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -72.83 160.03 32.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.404 1.481 . . . . 0.0 110.94 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.18 -27.07 68.15 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.782 0.833 . . . . 0.0 112.289 168.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.47 -7.06 45.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.901 1.28 . . . . 0.0 112.973 171.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.66 1.58 73.84 Favored Glycine 0 C--N 1.341 0.837 0 C-N-CA 124.643 1.116 . . . . 0.0 114.718 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 pttm -91.11 146.0 24.21 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.452 1.126 . . . . 0.0 110.937 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -85.27 149.47 25.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.867 174.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -143.85 142.26 30.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.683 0.754 . . . . 0.0 110.923 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -96.16 153.94 17.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 122.558 1.17 . . . . 0.0 112.738 -169.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -136.86 70.06 1.41 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.086 2.554 . . . . 0.0 107.878 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -83.93 116.51 22.82 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.346 1.458 . . . . 0.0 109.8 172.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -144.93 91.36 2.15 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.829 1.652 . . . . 0.0 110.13 -174.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.46 169.35 9.97 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 170.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.76 36.7 66.54 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 123.189 0.423 . . . . 0.0 113.141 176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.12 -164.74 1.54 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.145 0.978 . . . . 0.0 109.977 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.9 p -137.82 -178.54 5.3 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.774 -1.204 . . . . 0.0 112.943 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.96 -35.71 81.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.297 -0.877 . . . . 0.0 112.395 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 45.2 m -72.95 -18.71 61.35 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.812 0.845 . . . . 0.0 113.196 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -86.43 -37.38 18.39 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.453 1.101 . . . . 0.0 110.566 172.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -59.6 -41.31 90.06 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.564 -0.71 . . . . 0.0 111.552 166.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.43 -39.65 73.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.341 1.056 . . . . 0.0 112.212 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.04 -51.99 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.27 1.028 . . . . 0.0 109.927 172.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.58 -50.47 70.0 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.944 0.898 . . . . 0.0 112.25 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -57.55 -53.8 54.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.555 1.142 . . . . 0.0 110.594 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.24 -22.83 61.34 Favored Glycine 0 CA--C 1.534 1.269 0 N-CA-C 115.036 0.774 . . . . 0.0 115.036 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -89.57 -19.97 24.33 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.389 1.095 . . . . 0.0 112.786 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -125.96 -27.75 3.27 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -161.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.75 65.35 1.88 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.806 1.242 . . . . 0.0 113.612 -169.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.31 -64.89 0.76 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.285 1.034 . . . . 0.0 109.966 165.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -117.05 178.68 4.27 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 148.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -121.27 154.87 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 163.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.8 mm -109.44 -61.79 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -136.51 147.79 47.3 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.508 1.123 . . . . 0.0 110.559 172.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 tp -149.53 104.88 3.4 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.941 1.296 . . . . 0.0 108.937 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.1 145.15 26.84 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.859 0.864 . . . . 0.0 110.059 168.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 tt -143.54 136.76 27.9 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.996 1.318 . . . . 0.0 108.59 164.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.84 142.89 49.19 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 124.564 1.146 . . . . 0.0 108.382 169.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.4 ' HE3' ' OXT' ' B' ' 56' ' ' LEU . 18.2 ptmt -63.32 153.27 35.47 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 119.389 -0.924 . . . . 0.0 111.871 161.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.6 t -136.15 8.71 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 123.255 1.502 . . . . 0.0 113.382 172.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.4 ' OXT' ' HE3' ' B' ' 54' ' ' LYS . 63.5 tp . . . . . 0 C--O 1.251 1.174 0 C-N-CA 131.25 3.82 . . . . 0.0 109.121 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.6 m 78.67 165.09 0.21 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.693 2.797 . . . . 0.0 111.816 -162.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -47.0 144.09 2.68 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.949 2.1 . . . . 0.0 113.565 -155.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -89.99 122.14 32.72 Favored 'General case' 0 C--O 1.231 0.081 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 165.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.3 t -106.82 135.41 45.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 158.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 m -137.44 102.29 4.74 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.0 tmm? -115.55 161.34 18.76 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.921 0.889 . . . . 0.0 109.803 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -155.1 153.26 30.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 122.191 0.996 . . . . 0.0 111.134 174.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 43' ' ' THR . 88.3 mt -140.68 173.85 11.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 126.21 1.804 . . . . 0.0 109.071 -174.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -109.52 131.81 54.72 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 122.046 0.927 . . . . 0.0 110.478 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.14 164.03 26.04 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.862 1.665 . . . . 0.0 111.03 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.92 -31.55 66.9 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.155 0.982 . . . . 0.0 113.172 173.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -74.75 -2.92 28.62 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.469 0.652 . . . . 0.0 112.542 175.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.7 8.72 79.56 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.245 1.403 . . . . 0.0 113.533 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -89.03 152.52 21.64 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.648 1.179 . . . . 0.0 111.164 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -89.52 135.66 33.47 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.097 173.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -122.37 146.82 46.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.651 0.78 . . . . 0.0 109.834 171.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -97.68 160.5 14.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.618 -174.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -147.54 69.26 1.14 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.01 2.124 . . . . 0.0 107.558 -171.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -73.57 133.78 43.61 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.079 1.752 . . . . 0.0 111.05 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -148.96 83.24 1.45 Allowed 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 125.472 1.509 . . . . 0.0 110.661 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.49 ' HE2' HG11 ' A' ' 55' ' ' VAL . 60.2 tttm -88.75 155.73 19.39 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.845 0.355 . . . . 0.0 111.507 168.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.5 33.8 9.95 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.917 -0.583 . . . . 0.0 113.759 170.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.38 -166.09 1.79 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.647 1.179 . . . . 0.0 110.194 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.0 p -135.83 -179.83 5.9 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.137 -0.977 . . . . 0.0 113.249 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.57 -36.02 81.35 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.596 -0.69 . . . . 0.0 112.618 -175.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.4 m -68.81 -22.38 64.26 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 173.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -85.65 -30.43 23.23 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.297 1.039 . . . . 0.0 111.08 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -62.13 -38.65 89.73 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.314 -0.867 . . . . 0.0 112.045 168.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -56.55 -37.12 70.08 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.187 0.903 . . . . 0.0 112.643 172.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.7 t -68.8 -48.54 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 123.792 0.837 . . . . 0.0 110.749 175.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.97 -53.13 61.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.557 1.143 . . . . 0.0 111.72 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -61.41 -44.02 97.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.688 0.795 . . . . 0.0 111.594 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.99 -25.07 70.6 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.645 0.641 . . . . 0.0 114.221 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -78.86 -21.9 46.83 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.405 1.102 . . . . 0.0 113.272 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.48 HG23 HD11 ' A' ' 16' ' ' LEU . 63.8 m -55.87 -62.02 1.98 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.57 1.548 . . . . 0.0 113.29 -170.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 48.29 35.9 6.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.855 1.662 . . . . 0.0 114.836 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -141.41 20.99 2.22 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.297 1.039 . . . . 0.0 112.094 -171.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 62.01 7.91 2.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.365 2.266 . . . . 0.0 116.361 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm 63.34 152.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 127.598 2.359 . . . . 0.0 113.351 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.4 mm -113.61 -59.33 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 CA-C-N 114.59 -1.186 . . . . 0.0 107.936 162.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -149.94 147.71 28.22 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 120.899 0.38 . . . . 0.0 111.272 171.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 pp -136.63 158.09 45.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.622 0.725 . . . . 0.0 111.475 163.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -135.27 145.42 47.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 127.884 2.474 . . . . 0.0 108.542 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 tt -140.62 144.68 35.91 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.519 1.128 . . . . 0.0 108.761 166.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -150.95 122.07 7.72 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.042 1.337 . . . . 0.0 108.487 -173.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 133.44 48.19 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 122.413 1.101 . . . . 0.0 110.229 165.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.49 HG11 ' HE2' ' A' ' 29' ' ' LYS . 33.3 m . . . . . 0 N--CA 1.45 -0.443 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.23 -167.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.401 ' CG ' ' H ' ' B' ' 9' ' ' SER . 23.5 t70 . . . . . 0 CA--C 1.538 0.496 0 CA-C-O 122.929 1.347 . . . . 0.0 114.17 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.401 ' H ' ' CG ' ' B' ' 8' ' ' ASP . 20.2 m 64.73 162.43 0.13 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.969 2.508 . . . . 0.0 113.339 -173.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -60.69 159.9 10.12 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.258 1.023 . . . . 0.0 112.127 -169.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -117.79 142.5 47.21 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.364 1.466 . . . . 0.0 109.45 171.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t -123.85 92.97 2.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 C-N-CA 126.338 1.855 . . . . 0.0 108.01 175.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 21.2 m -85.04 105.26 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.318 1.047 . . . . 0.0 108.485 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 4.0 mmt -114.3 150.15 34.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 125.388 1.475 . . . . 0.0 111.608 -169.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.31 113.64 8.51 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.074 0.95 . . . . 0.0 110.435 174.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.72 173.2 8.71 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.708 1.603 . . . . 0.0 109.921 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -116.86 130.35 56.65 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.593 0.757 . . . . 0.0 110.194 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -76.9 165.16 25.06 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.17 0.988 . . . . 0.0 111.849 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -57.38 -28.62 63.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.426 1.49 . . . . 0.0 113.839 173.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.53 -10.46 59.81 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.857 1.263 . . . . 0.0 112.862 172.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.78 3.69 73.68 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.997 1.284 . . . . 0.0 113.365 -175.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -80.16 117.39 20.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.068 1.347 . . . . 0.0 109.826 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -76.39 127.45 32.88 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 169.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -132.47 131.1 41.34 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.86 0.838 . . . . 0.0 111.358 -175.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -75.35 149.87 38.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.01 165.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -149.11 147.14 28.13 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.52 0.728 . . . . 0.0 110.521 160.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -115.31 86.93 2.55 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.714 1.606 . . . . 0.0 108.983 -168.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -85.93 85.3 7.38 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -86.27 164.6 17.05 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 125.06 1.344 . . . . 0.0 112.066 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.39 36.48 55.01 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.168 0.889 . . . . 0.0 113.661 166.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.38 -161.35 1.17 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.716 0.806 . . . . 0.0 111.108 -173.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 51.7 p -143.02 -176.59 4.97 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.086 -1.009 . . . . 0.0 112.94 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.2 -34.91 79.49 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -174.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.0 p -68.07 -25.24 65.24 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.277 -0.889 . . . . 0.0 112.684 173.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -80.93 -29.97 35.37 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.1 0.96 . . . . 0.0 112.211 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -59.28 -46.59 88.12 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.503 -0.748 . . . . 0.0 111.193 165.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.92 -27.73 69.02 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.475 0.71 . . . . 0.0 112.772 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.34 -51.37 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.756 170.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -54.39 47.11 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.36 0.982 . . . . 0.0 110.347 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -61.18 -41.42 96.76 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.386 1.074 . . . . 0.0 112.413 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.74 -36.03 30.25 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 124.014 0.816 . . . . 0.0 114.021 -174.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -79.47 -29.8 41.87 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.093 0.946 . . . . 0.0 111.63 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 58.2 m -65.66 -50.37 65.18 Favored 'General case' 0 C--O 1.227 -0.092 0 C-N-CA 123.37 0.668 . . . . 0.0 111.472 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 47.13 39.07 7.53 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.903 1.681 . . . . 0.0 114.779 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -126.93 165.32 19.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.255 1.022 . . . . 0.0 110.45 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.88 110.37 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 123.115 1.436 . . . . 0.0 111.144 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.92 148.74 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 113.978 -1.465 . . . . 0.0 110.824 -177.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -101.25 -59.91 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -139.25 155.05 48.03 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.682 0.793 . . . . 0.0 110.298 165.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 pp -147.06 165.79 28.84 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.689 0.757 . . . . 0.0 111.791 159.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -141.95 161.42 38.02 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.524 1.93 . . . . 0.0 110.402 168.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.7 tp -139.46 135.84 33.98 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 126.103 1.761 . . . . 0.0 106.257 158.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -143.36 115.35 8.32 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.543 1.137 . . . . 0.0 108.854 -167.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.79 113.63 12.29 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 167.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.12 151.64 8.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 114.085 -1.416 . . . . 0.0 111.981 -159.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-N 112.825 -1.988 . . . . 0.0 114.368 -172.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.6 m -58.4 155.88 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 O-C-N 124.395 1.059 . . . . 0.0 111.91 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -32.73 96.66 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 128.918 2.887 . . . . 0.0 114.578 176.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -74.7 -49.74 20.1 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.206 -0.934 . . . . 0.0 111.135 173.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -151.42 76.87 1.23 Allowed 'General case' 0 C--O 1.24 0.585 0 C-N-CA 124.66 1.184 . . . . 0.0 109.453 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 64.63 -32.01 0.13 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 129.098 2.959 . . . . 0.0 114.98 -165.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -61.8 87.91 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 126.97 2.108 . . . . 0.0 114.097 -172.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -154.52 -74.6 0.12 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.975 1.71 . . . . 0.0 109.113 160.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -149.35 -174.49 4.68 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 128.749 2.819 . . . . 0.0 109.308 -169.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -45.35 126.57 6.54 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.542 1.537 . . . . 0.0 113.086 -168.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.25 127.37 31.97 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.883 0.873 . . . . 0.0 109.27 168.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -126.62 129.01 71.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 125.331 1.453 . . . . 0.0 108.335 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 m -136.82 102.82 5.0 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -174.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.4 mtm -108.52 165.28 11.64 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.482 0.658 . . . . 0.0 112.574 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -145.72 118.98 8.91 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 127.003 2.121 . . . . 0.0 109.146 -176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -126.1 160.3 30.51 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.051 0.94 . . . . 0.0 109.893 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -102.6 128.0 49.46 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.54 0.736 . . . . 0.0 111.734 -171.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -75.21 163.37 27.59 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.427 1.091 . . . . 0.0 112.332 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -58.02 -25.07 60.67 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.517 1.127 . . . . 0.0 113.176 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.35 -9.85 37.3 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.68 14.63 69.94 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 124.89 1.234 . . . . 0.0 113.674 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -121.65 157.84 29.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 125.162 1.385 . . . . 0.0 111.072 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.0 150.75 24.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.504 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -128.62 146.97 50.71 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.901 1.68 . . . . 0.0 109.67 167.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -85.9 156.09 20.66 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.993 0.917 . . . . 0.0 113.01 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -132.07 77.34 1.75 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.442 2.297 . . . . 0.0 107.69 164.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -73.68 127.17 32.04 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.456 1.103 . . . . 0.0 110.634 168.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -144.72 94.5 2.56 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.719 1.608 . . . . 0.0 110.137 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -79.54 162.72 25.2 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.058 -0.401 . . . . 0.0 110.332 168.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.49 33.2 72.01 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-O 119.451 -0.638 . . . . 0.0 113.75 172.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.23 -176.16 3.14 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 122.175 0.988 . . . . 0.0 110.586 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.4 p -132.51 175.73 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 124.186 0.994 . . . . 0.0 110.498 165.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.489 HD11 HG21 ' B' ' 47' ' ' ILE . 11.9 mt -60.13 -35.52 75.47 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.659 -0.651 . . . . 0.0 112.133 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.2 m -67.83 -35.41 78.55 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.811 -0.556 . . . . 0.0 112.138 174.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -74.96 -31.43 61.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.537 0.735 . . . . 0.0 111.788 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -59.12 -46.32 88.63 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.679 0.792 . . . . 0.0 111.624 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -56.96 -39.03 73.83 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.536 0.607 . . . . 0.0 112.18 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.45 -53.74 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 122.803 0.441 . . . . 0.0 110.492 172.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.06 -51.42 69.37 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.689 0.677 . . . . 0.0 112.161 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -60.47 -36.6 78.67 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.105 1.362 . . . . 0.0 112.361 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.14 -30.14 35.38 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.311 -0.716 . . . . 0.0 114.88 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -99.22 -26.3 14.23 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.708 1.254 . . . . 0.0 112.998 -169.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -71.44 -33.27 69.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.318 0.508 . . . . 0.0 111.562 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.23 -1.78 0.06 Allowed 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 118.832 2.901 . . . . 0.0 118.832 161.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.51 -178.22 6.98 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.71 87.51 0.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.134 0.974 . . . . 0.0 110.947 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.51 132.63 33.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.835 1.654 . . . . 0.0 111.23 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mm -119.22 -47.68 3.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 C-N-CA 126.839 2.055 . . . . 0.0 108.965 -171.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.468 ' NZ ' ' OD2' ' B' ' 53' ' ' ASP . 45.4 mttm -136.03 156.49 48.65 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 118.909 0.777 . . . . 0.0 110.989 167.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 pp -144.82 160.59 41.02 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.69 158.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.0 mtm-85 -138.85 151.03 46.65 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 126.566 1.946 . . . . 0.0 111.045 173.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 tt -137.06 140.75 42.24 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.682 1.593 . . . . 0.0 108.633 160.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -145.68 118.15 8.52 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.67 1.588 . . . . 0.0 108.374 -172.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 145.6 53.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.379 174.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.35 148.29 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 122.775 1.274 . . . . 0.0 112.957 -170.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.8 tp . . . . . 0 C--O 1.252 1.191 0 C-N-CA 127.893 2.477 . . . . 0.0 112.477 -175.639 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 p -65.54 140.43 19.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 122.201 1.001 . . . . 0.0 112.11 -172.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -74.35 37.08 0.1 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.842 2.057 . . . . 0.0 113.347 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -144.97 10.1 1.32 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.993 2.117 . . . . 0.0 112.084 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -150.83 -44.66 0.12 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.315 1.446 . . . . 0.0 110.766 -170.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -69.18 -2.05 9.41 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.454 1.101 . . . . 0.0 113.231 166.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 92.7 t -109.84 105.93 19.74 Favored 'Isoleucine or valine' 0 C--N 1.341 0.196 0 C-N-CA 125.896 1.678 . . . . 0.0 110.581 -165.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -141.9 -68.3 0.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.939 1.296 . . . . 0.0 108.106 163.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -139.75 174.11 10.85 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.64 2.376 . . . . 0.0 108.553 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -45.84 150.72 0.51 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.212 1.805 . . . . 0.0 112.583 -167.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -104.58 138.98 40.11 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.525 1.93 . . . . 0.0 109.491 169.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -128.81 117.06 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 127.03 2.132 . . . . 0.0 108.616 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 27.6 m -111.35 130.0 55.82 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 29.7 ttm -139.05 149.6 44.8 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.396 0.617 . . . . 0.0 111.61 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -141.18 119.88 12.52 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.49 1.116 . . . . 0.0 109.73 -173.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.8 mt -127.5 165.69 19.39 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.226 1.41 . . . . 0.0 109.718 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -113.75 149.71 34.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 122.341 1.067 . . . . 0.0 112.51 -176.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.74 177.36 4.79 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.812 2.045 . . . . 0.0 111.541 -173.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.19 -30.96 69.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.465 1.106 . . . . 0.0 113.935 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -81.77 -8.7 59.72 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.959 0.799 . . . . 0.0 112.75 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.04 22.11 77.11 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.049 0.833 . . . . 0.0 114.064 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -98.09 -15.32 20.03 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.586 1.155 . . . . 0.0 113.472 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 76.76 157.37 0.18 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.928 2.491 . . . . 0.0 113.018 167.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -139.74 118.74 12.59 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 122.407 1.099 . . . . 0.0 110.563 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -93.18 140.73 29.2 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 127.964 2.505 . . . . 0.0 110.059 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -150.63 153.74 36.22 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 122.51 0.324 . . . . 0.0 110.755 165.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -120.19 150.85 39.99 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 122.709 1.243 . . . . 0.0 111.488 170.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -143.97 94.5 2.59 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.359 1.864 . . . . 0.0 107.706 -166.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.7 167.73 11.39 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.118 0.785 . . . . 0.0 113.118 -173.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.8 37.0 57.47 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 -175.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -138.81 -167.52 2.23 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.692 1.597 . . . . 0.0 109.964 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.3 p -135.06 178.93 6.65 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 74.0 mt -57.65 -37.78 73.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.218 1.007 . . . . 0.0 112.576 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 18.8 m -65.11 -30.29 71.22 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -82.34 -32.22 29.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.558 1.143 . . . . 0.0 111.683 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -57.35 -47.58 81.22 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.943 0.897 . . . . 0.0 111.6 164.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.12 -31.27 67.0 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.912 0.885 . . . . 0.0 112.688 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.19 -55.33 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.0 170.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.51 -43.44 97.08 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.325 0.966 . . . . 0.0 112.32 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -58.46 -46.42 86.61 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.506 0.722 . . . . 0.0 111.844 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.57 -27.1 70.08 Favored Glycine 0 CA--C 1.536 1.391 0 N-CA-C 114.632 0.613 . . . . 0.0 114.632 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -76.75 -23.69 53.0 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.553 1.541 . . . . 0.0 112.845 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 34.7 m -49.83 -65.19 0.61 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.677 1.591 . . . . 0.0 112.5 -170.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 45.09 29.05 0.45 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.39 1.876 . . . . 0.0 115.674 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -143.25 177.8 8.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.887 1.675 . . . . 0.0 110.461 -168.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.89 93.53 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.626 1.571 . . . . 0.0 111.631 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.489 HG21 HD11 ' A' ' 33' ' ' LEU . 5.8 tp -71.31 132.1 33.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 127.36 2.264 . . . . 0.0 111.741 170.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mm -124.89 -58.8 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.142 0 C-N-CA 126.302 1.841 . . . . 0.0 108.419 -176.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -137.45 154.47 49.92 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.102 0.953 . . . . 0.0 111.983 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.1 tt -150.39 136.61 18.68 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.448 1.899 . . . . 0.0 107.812 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -143.38 148.27 35.95 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.933 1.293 . . . . 0.0 110.201 173.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 tt -137.31 148.79 46.59 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.238 1.415 . . . . 0.0 109.296 167.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.468 ' OD2' ' NZ ' ' A' ' 49' ' ' LYS . 8.4 t0 -153.05 104.5 2.83 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.634 1.573 . . . . 0.0 108.052 -170.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.22 101.53 0.56 Allowed 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.178 -0.951 . . . . 0.0 108.893 169.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 32.8 m -55.02 144.48 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 114.473 -1.24 . . . . 0.0 112.95 -172.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.9 tp . . . . . 0 C--O 1.254 1.323 0 C-N-CA 129.905 3.282 . . . . 0.0 115.497 -177.344 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.7 p -58.28 134.97 22.96 Favored 'Isoleucine or valine' 0 C--N 1.337 0.049 0 CA-C-O 121.892 0.853 . . . . 0.0 111.026 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 47.88 48.59 17.68 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.358 1.463 . . . . 0.0 113.797 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -64.7 -64.19 0.93 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.779 157.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -149.71 88.98 1.58 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.983 0.913 . . . . 0.0 109.131 172.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.96 3.21 1.17 Allowed 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -170.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.0 t -69.72 140.23 19.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 126.051 1.74 . . . . 0.0 113.014 -172.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.91 178.93 0.12 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 130.078 3.351 . . . . 0.0 117.732 170.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.8 p 65.67 176.08 0.22 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 131.183 3.793 . . . . 0.0 115.243 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.515 ' CZ ' HD21 ' A' ' 33' ' ' LEU . 61.1 m-85 -70.77 140.92 51.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 120.846 -1.159 . . . . 0.0 108.906 152.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -139.51 124.89 19.1 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 126.166 1.787 . . . . 0.0 107.651 -168.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 t -128.97 132.32 67.46 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 124.993 1.317 . . . . 0.0 109.858 -165.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 m -116.2 122.74 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.333 1.453 . . . . 0.0 107.751 164.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.1 ttp -131.67 153.36 50.07 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 pp -152.27 151.42 30.9 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 122.418 1.104 . . . . 0.0 111.436 169.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -126.45 175.77 7.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.59 1.956 . . . . 0.0 109.697 -169.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -115.75 138.78 50.79 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.224 1.01 . . . . 0.0 111.183 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -80.86 161.15 24.55 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.348 1.859 . . . . 0.0 110.92 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -55.96 -31.22 62.79 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.528 1.531 . . . . 0.0 113.073 168.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' OD2' ' NZ ' ' A' ' 22' ' ' LYS . 30.1 t70 -74.51 -8.87 57.75 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 173.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.75 3.22 71.28 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.165 1.364 . . . . 0.0 114.447 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 62.9 mttp -83.05 160.17 22.0 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.39 1.076 . . . . 0.0 110.495 174.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -86.22 153.46 22.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.957 0.408 . . . . 0.0 111.215 170.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -138.35 148.82 44.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.485 0.66 . . . . 0.0 110.874 163.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -121.39 138.76 54.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.841 1.256 . . . . 0.0 111.418 -156.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -138.56 75.45 1.52 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.242 1.817 . . . . 0.0 108.91 -167.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -81.98 134.1 35.35 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.651 -0.656 . . . . 0.0 109.881 166.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -146.91 120.17 8.93 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 125.792 1.637 . . . . 0.0 109.575 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -121.03 162.62 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.787 1.235 . . . . 0.0 109.851 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.49 32.07 8.43 Favored Glycine 0 N--CA 1.464 0.547 0 O-C-N 123.437 0.461 . . . . 0.0 112.33 164.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 pp -137.35 -174.71 3.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.784 1.234 . . . . 0.0 111.258 -168.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 p -138.47 -175.58 4.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.437 167.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.515 HD21 ' CZ ' ' A' ' 10' ' ' TYR . 3.1 mm? -60.13 -33.85 72.72 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.7 m -66.77 -25.53 66.53 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 176.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.25 -31.35 27.03 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.913 0.885 . . . . 0.0 111.819 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -62.8 -40.65 98.0 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.346 -0.846 . . . . 0.0 111.488 168.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -60.09 -29.69 68.74 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.437 0.695 . . . . 0.0 112.608 175.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -73.47 -48.56 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.412 0.685 . . . . 0.0 110.641 170.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.1 tp -53.21 -52.66 58.19 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.953 0.797 . . . . 0.0 111.249 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.28 -59.01 5.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.338 1.055 . . . . 0.0 111.017 171.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.87 -18.95 55.16 Favored Glycine 0 C--N 1.343 0.956 0 C-N-CA 124.972 1.272 . . . . 0.0 115.473 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -113.16 -15.81 12.69 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.88 -11.49 2.99 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -164.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.08 72.71 0.61 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.526 1.057 . . . . 0.0 112.229 177.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -122.4 99.96 6.69 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.532 1.533 . . . . 0.0 110.414 -170.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 56.17 64.55 1.68 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.628 1.571 . . . . 0.0 110.975 -161.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 tp -67.0 135.04 29.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 C-N-CA 124.659 1.183 . . . . 0.0 111.922 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.6 mm -118.65 -54.54 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 126.938 2.095 . . . . 0.0 109.129 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -135.71 150.56 49.59 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.878 0.871 . . . . 0.0 111.521 174.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 tp -147.97 131.7 16.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.065 2.146 . . . . 0.0 108.018 173.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -143.61 111.05 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.552 1.941 . . . . 0.0 107.037 -175.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 tt -125.14 141.47 52.09 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.079 0.951 . . . . 0.0 109.691 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -137.28 140.16 41.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.051 1.34 . . . . 0.0 107.754 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 2.4 tmtt? -67.7 104.84 1.74 Allowed 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 143.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.15 159.82 5.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 123.82 1.772 . . . . 0.0 108.677 166.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.5 tp . . . . . 0 C--O 1.256 1.433 0 CA-C-N 112.389 -2.187 . . . . 0.0 112.105 -162.462 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.474 0.725 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.3 m -65.79 155.65 6.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 122.257 1.027 . . . . 0.0 111.875 175.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -76.03 79.25 2.89 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.02 172.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -61.78 -69.2 0.26 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.956 1.302 . . . . 0.0 111.967 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -135.43 79.47 1.78 Allowed 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 57.87 -28.24 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 129.284 3.034 . . . . 0.0 117.224 -166.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.252 0.8 OUTLIER 53.53 158.0 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 130.767 3.627 . . . . 0.0 116.917 174.606 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 87.9 -80.38 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 130.881 3.672 . . . . 0.0 112.275 177.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.7 m -153.19 174.54 14.13 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.066 1.346 . . . . 0.0 109.161 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -42.6 139.22 1.62 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.271 1.828 . . . . 0.0 114.145 -162.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -97.26 114.59 26.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 126.55 1.94 . . . . 0.0 109.86 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.449 HG11 HD23 ' B' ' 39' ' ' LEU . 55.9 t -107.8 142.43 20.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 C-N-CA 125.003 1.321 . . . . 0.0 109.813 172.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 20.2 m -138.59 109.99 6.97 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.361 1.464 . . . . 0.0 107.536 174.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 37.1 ttp -131.31 156.76 44.91 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.723 0.409 . . . . 0.0 110.939 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.46 161.14 42.56 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 123.71 1.719 . . . . 0.0 112.005 165.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.61 178.71 8.82 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 127.786 2.434 . . . . 0.0 107.544 169.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -88.8 127.66 35.62 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.85 -0.531 . . . . 0.0 112.168 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.77 -179.32 8.08 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.26 -48.39 0.49 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 130.316 3.446 . . . . 0.0 115.289 166.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -138.44 14.17 2.77 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.655 1.582 . . . . 0.0 112.271 -172.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.92 26.7 70.47 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.515 0.579 . . . . 0.0 112.262 -172.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -131.61 167.23 19.78 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 125.489 1.516 . . . . 0.0 110.07 -173.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -67.75 143.29 55.95 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.985 0.898 . . . . 0.0 111.968 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -141.43 112.74 7.48 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 113.987 -1.46 . . . . 0.0 108.758 -162.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -100.76 155.38 17.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 123.265 1.507 . . . . 0.0 114.056 -157.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -142.78 72.52 1.37 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.994 2.518 . . . . 0.0 107.774 -171.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -78.94 120.08 23.03 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.582 1.153 . . . . 0.0 109.472 169.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -147.03 95.01 2.5 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.986 0.914 . . . . 0.0 111.065 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 168.47 10.23 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 168.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.36 30.1 42.4 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-O 119.914 -0.381 . . . . 0.0 112.753 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -132.6 -172.33 2.88 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.443 1.097 . . . . 0.0 110.39 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.9 p -132.14 -176.89 4.22 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.042 -1.036 . . . . 0.0 112.098 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.0 -33.74 72.41 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 120.563 -1.335 . . . . 0.0 112.757 -167.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 78.3 p -68.46 -26.79 65.68 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 170.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -78.53 -34.24 47.34 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.814 0.846 . . . . 0.0 111.231 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -60.91 -43.69 98.19 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.448 0.699 . . . . 0.0 111.371 168.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -57.88 -36.72 72.76 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 173.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.22 -48.51 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 122.729 0.412 . . . . 0.0 110.537 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.449 HD23 HG11 ' B' ' 12' ' ' VAL . 67.6 tp -57.31 -50.71 72.05 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.724 0.81 . . . . 0.0 112.075 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.4 -47.54 85.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.177 0.991 . . . . 0.0 111.472 174.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.38 -26.53 74.47 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-O 119.299 -0.723 . . . . 0.0 114.766 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -77.33 -17.73 58.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.333 1.053 . . . . 0.0 113.124 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.481 HG22 ' H ' ' B' ' 45' ' ' ASP . 51.9 m -57.0 -50.18 73.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.596 1.558 . . . . 0.0 112.944 -171.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.17 26.41 2.87 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.01 1.724 . . . . 0.0 115.191 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.481 ' H ' HG22 ' B' ' 43' ' ' THR . 21.5 t0 -133.68 173.41 11.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.019 1.727 . . . . 0.0 110.202 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -70.73 113.81 8.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.693 0.759 . . . . 0.0 110.58 168.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.15 138.03 18.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.755 167.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.0 mm -113.88 -48.65 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 124.623 1.169 . . . . 0.0 108.755 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -151.15 138.37 19.3 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.188 0.449 . . . . 0.0 111.286 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -141.84 155.53 45.56 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 122.823 1.297 . . . . 0.0 112.28 165.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.9 ttp-105 -138.84 148.27 43.51 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.647 1.979 . . . . 0.0 109.11 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 tt -145.36 139.44 26.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.594 1.557 . . . . 0.0 109.173 172.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.57 139.25 42.03 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 126.035 1.734 . . . . 0.0 109.28 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.69 155.74 25.55 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.502 1.144 . . . . 0.0 111.564 154.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 23.3 m -118.09 165.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 113.282 -1.781 . . . . 0.0 110.207 -177.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 C--O 1.248 0.976 0 CA-C-O 116.094 -1.907 . . . . 0.0 111.849 175.031 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 tpt . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 118.883 -0.579 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.9 m -132.21 168.05 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 126.383 1.873 . . . . 0.0 108.054 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -75.88 47.53 0.43 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.085 1.754 . . . . 0.0 113.713 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -65.91 -23.29 66.6 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.961 1.304 . . . . 0.0 113.523 -175.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 7' ' ' VAL . 4.9 t0 -143.79 -169.82 3.18 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.257 2.223 . . . . 0.0 107.183 169.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.85 40.55 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.42 1.888 . . . . 0.0 112.024 162.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.416 ' H ' ' C ' ' A' ' 5' ' ' ASP . 10.4 p -62.34 173.01 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 C-N-CA 130.535 3.534 . . . . 0.0 111.27 -173.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -78.13 165.81 23.51 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 119.835 -1.79 . . . . 0.0 112.213 170.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t 96.54 175.44 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 129.05 2.94 . . . . 0.0 108.799 -154.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -46.0 125.1 6.01 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.426 1.89 . . . . 0.0 114.196 -154.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -94.07 117.18 29.73 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.427 2.291 . . . . 0.0 107.144 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.3 t -133.29 94.62 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 127.933 2.493 . . . . 0.0 109.28 -167.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.1 m -85.39 141.39 30.03 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.596 0.758 . . . . 0.0 109.23 170.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.5 ttm -143.43 152.29 41.37 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 123.481 0.712 . . . . 0.0 110.744 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -144.2 122.53 12.32 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 126.753 2.021 . . . . 0.0 109.551 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mp -122.59 166.15 15.31 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.861 1.265 . . . . 0.0 109.533 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -108.89 129.41 55.41 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.356 0.598 . . . . 0.0 111.958 -175.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -71.21 160.48 32.76 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.961 1.304 . . . . 0.0 111.617 172.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -60.59 -25.85 66.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.053 0.941 . . . . 0.0 113.329 173.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -74.23 -2.38 24.62 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.322 1.049 . . . . 0.0 112.547 171.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.27 8.78 77.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 120.724 -1.235 . . . . 0.0 114.658 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -103.99 159.36 15.73 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.485 1.514 . . . . 0.0 111.514 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -75.71 151.62 37.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 111.7 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -131.65 143.42 50.29 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 122.117 0.961 . . . . 0.0 110.166 156.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -107.89 137.56 45.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 127.147 2.179 . . . . 0.0 110.582 -162.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -145.02 71.68 1.31 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.959 1.304 . . . . 0.0 108.891 -162.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -92.71 135.62 33.95 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.952 1.301 . . . . 0.0 112.274 -173.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -135.7 146.48 47.78 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 126.013 1.725 . . . . 0.0 109.808 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -140.6 153.83 46.23 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.062 0.945 . . . . 0.0 109.151 171.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.62 22.17 56.58 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 119.58 -0.567 . . . . 0.0 113.216 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.83 -175.64 5.68 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.148 0.975 . . . . 0.0 111.258 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 p -133.37 179.81 5.98 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.313 -0.867 . . . . 0.0 110.279 153.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.19 -31.88 73.14 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.185 -0.947 . . . . 0.0 112.314 -173.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.6 m -66.31 -33.74 76.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.27 1.028 . . . . 0.0 112.218 173.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -78.52 -32.7 48.16 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.081 0.952 . . . . 0.0 110.881 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -62.4 -44.33 96.69 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.168 0.987 . . . . 0.0 112.006 167.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -54.94 -44.97 74.78 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.037 0.835 . . . . 0.0 111.711 171.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.05 -53.45 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.34 173.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.7 tp -55.77 -52.58 63.48 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.386 0.994 . . . . 0.0 112.928 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.9 -34.48 78.06 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.352 1.061 . . . . 0.0 112.448 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.27 -23.09 52.75 Favored Glycine 0 CA--C 1.535 1.33 0 CA-C-O 119.201 -0.777 . . . . 0.0 114.657 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -87.55 -36.73 17.41 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.196 1.398 . . . . 0.0 111.34 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.5 p -73.0 -74.19 0.18 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.736 0.814 . . . . 0.0 111.383 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.33 -1.13 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 129.406 3.082 . . . . 0.0 117.335 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -81.82 68.72 8.3 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.86 2.464 . . . . 0.0 112.42 -166.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 61.9 60.5 1.54 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.789 1.236 . . . . 0.0 110.586 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.64 121.12 10.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 125.958 1.703 . . . . 0.0 110.962 175.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 mm -96.73 -69.88 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 105.591 -2.004 . . . . 0.0 105.591 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -135.23 158.03 45.41 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 pp -141.35 156.57 45.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.405 167.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.35 103.6 4.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.282 1.433 . . . . 0.0 108.755 -177.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 tt -109.9 136.42 49.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.799 1.64 . . . . 0.0 110.348 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.54 138.97 46.33 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 126.626 1.97 . . . . 0.0 109.4 171.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 149.38 49.95 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 119.14 -1.024 . . . . 0.0 110.686 155.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.3 t -115.1 152.95 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.1 tp . . . . . 0 C--O 1.249 1.044 0 C-N-CA 129.913 3.285 . . . . 0.0 112.427 -178.728 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.77 -19.44 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 124.064 0.853 . . . . 0.0 111.919 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -55.12 123.45 13.7 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 126.235 1.814 . . . . 0.0 111.21 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -61.98 -50.07 73.55 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.31 1.444 . . . . 0.0 113.573 -168.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -137.05 -46.35 0.58 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.825 1.25 . . . . 0.0 112.949 -170.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.535 ' CZ ' ' HE2' ' B' ' 29' ' ' LYS . 56.6 m-85 -72.58 66.84 0.73 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 122.318 1.056 . . . . 0.0 109.597 163.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -77.54 68.59 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 125.885 1.674 . . . . 0.0 111.703 -169.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 42.21 -130.63 0.56 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.396 1.079 . . . . 0.0 108.988 -161.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m 69.95 -165.24 0.17 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.611 1.165 . . . . 0.0 111.325 168.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -94.89 146.16 24.41 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.577 1.151 . . . . 0.0 109.512 156.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -93.87 138.38 32.08 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.125 1.77 . . . . 0.0 108.081 157.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.9 112.48 31.96 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 126.302 1.841 . . . . 0.0 108.19 171.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 21.5 m -121.63 95.18 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.473 1.509 . . . . 0.0 107.546 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 38.9 ttp -122.19 156.87 32.83 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.552 1.141 . . . . 0.0 111.557 -166.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 tt -149.2 127.37 12.06 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 123.995 0.918 . . . . 0.0 111.461 -170.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -122.81 175.64 6.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.926 2.09 . . . . 0.0 110.937 -172.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -133.45 117.71 17.52 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 123.419 0.688 . . . . 0.0 110.169 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -71.65 168.46 17.65 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.416 0.686 . . . . 0.0 112.202 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.04 -26.98 68.57 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.881 1.672 . . . . 0.0 113.497 -172.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -80.36 -0.0 34.98 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.138 1.375 . . . . 0.0 113.398 171.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.8 2.38 72.24 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.762 1.649 . . . . 0.0 113.957 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.56 125.67 33.95 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.572 1.686 . . . . 0.0 110.987 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -71.41 142.17 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.076 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -147.99 162.56 39.09 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.692 0.797 . . . . 0.0 109.977 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.4 159.13 35.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 122.374 1.083 . . . . 0.0 113.637 -171.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -136.47 89.89 2.51 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 128.812 2.845 . . . . 0.0 107.189 -166.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -106.76 104.46 14.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.919 2.088 . . . . 0.0 109.232 -168.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -136.34 85.5 2.15 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 125.566 1.546 . . . . 0.0 111.802 -162.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.535 ' HE2' ' CZ ' ' B' ' 6' ' ' PHE . 94.1 mttt -69.22 165.12 21.18 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.009 0.924 . . . . 0.0 110.667 163.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.92 17.7 80.19 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-O 119.059 -0.856 . . . . 0.0 114.34 171.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -100.36 178.99 4.59 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.576 1.15 . . . . 0.0 111.973 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.5 p -136.46 177.62 7.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.844 1.258 . . . . 0.0 111.288 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.73 -31.76 71.05 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.889 0.876 . . . . 0.0 113.286 -174.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.2 p -77.88 -30.95 51.04 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.819 1.247 . . . . 0.0 112.421 174.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -73.45 -32.2 64.23 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.265 -0.897 . . . . 0.0 111.442 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -59.44 -44.09 92.99 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.526 0.73 . . . . 0.0 111.984 169.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -58.98 -36.26 74.58 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.145 0.978 . . . . 0.0 111.783 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -63.28 -52.78 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.278 0.631 . . . . 0.0 110.437 172.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.16 -53.19 61.06 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.824 0.85 . . . . 0.0 112.142 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -66.33 -33.98 76.94 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.694 0.798 . . . . 0.0 112.398 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.8 -26.36 56.33 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.628 -1.095 . . . . 0.0 114.463 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -87.65 -32.16 19.4 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.306 1.553 . . . . 0.0 111.705 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.1 p -72.67 131.91 43.01 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.914 -0.492 . . . . 0.0 111.284 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.81 -5.33 11.55 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.496 1.119 . . . . 0.0 113.23 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -76.64 44.06 0.35 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.428 2.291 . . . . 0.0 112.495 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 47.98 -126.46 1.82 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 127.435 2.294 . . . . 0.0 111.83 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.8 tp -168.83 135.07 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.362 1.865 . . . . 0.0 109.398 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.6 mm -123.76 -55.68 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 125.169 1.388 . . . . 0.0 108.799 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -133.39 151.55 51.84 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.566 1.146 . . . . 0.0 111.191 173.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 tp -151.51 122.68 7.71 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 125.109 1.364 . . . . 0.0 109.373 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -111.58 135.36 52.26 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 124.052 0.941 . . . . 0.0 108.761 158.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -128.26 133.14 48.74 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 162.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -152.18 109.49 3.57 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.999 0.52 . . . . 0.0 110.852 -162.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -69.24 104.78 2.31 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.765 0.793 . . . . 0.0 109.795 174.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -65.48 152.73 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 126.479 1.912 . . . . 0.0 109.893 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--O 1.249 1.051 0 C-N-CA 129.327 3.051 . . . . 0.0 110.971 -167.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 tpt . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 m -131.04 175.12 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 126.084 1.753 . . . . 0.0 108.979 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.07 53.19 0.07 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.874 2.07 . . . . 0.0 113.334 173.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.72 -34.15 77.24 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.652 1.181 . . . . 0.0 111.301 167.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -129.6 -158.34 0.88 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.459 1.903 . . . . 0.0 108.564 170.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -65.44 -0.2 1.81 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -174.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER 54.6 166.61 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.596 1 C-N-CA 131.779 4.032 . . . . 0.0 116.334 179.473 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.1 t70 75.21 -79.2 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 127.749 2.42 . . . . 0.0 113.537 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -152.53 175.77 12.4 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.449 1.5 . . . . 0.0 111.029 -165.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -44.18 132.89 5.53 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.143 1.777 . . . . 0.0 114.084 -169.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -82.77 140.11 33.19 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.556 1.142 . . . . 0.0 108.819 160.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -135.28 89.43 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 125.772 1.629 . . . . 0.0 107.706 167.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.4 m -85.31 96.77 9.63 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 173.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.2 ttm -98.23 164.13 12.44 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.972 0.909 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -149.4 125.87 10.92 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.591 1.556 . . . . 0.0 109.503 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.9 mt -130.91 177.45 7.42 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 125.225 1.41 . . . . 0.0 110.624 -173.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -130.73 133.88 46.42 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.714 0.805 . . . . 0.0 110.896 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.68 162.55 27.63 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.129 1.372 . . . . 0.0 111.77 174.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.76 -31.24 66.31 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.917 1.287 . . . . 0.0 113.429 175.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -70.99 -10.55 59.93 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.574 0.749 . . . . 0.0 112.78 173.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.03 0.38 66.02 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 125.413 1.482 . . . . 0.0 113.426 -176.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -70.95 115.82 10.53 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.941 1.296 . . . . 0.0 110.43 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -80.13 137.58 36.75 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 122.962 0.505 . . . . 0.0 110.663 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -143.05 146.88 34.23 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.765 0.793 . . . . 0.0 111.93 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -83.57 151.03 25.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.904 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -137.05 79.46 1.75 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.04 2.536 . . . . 0.0 107.82 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -73.4 120.64 19.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.35 1.06 . . . . 0.0 110.406 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -140.0 91.97 2.51 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 123.872 0.869 . . . . 0.0 110.358 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -112.66 171.05 7.76 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.613 1.165 . . . . 0.0 112.869 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.37 38.34 94.86 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.943 0.782 . . . . 0.0 112.423 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -138.35 -161.08 1.13 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.682 1.193 . . . . 0.0 110.809 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -137.81 178.63 6.97 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 120.72 -1.238 . . . . 0.0 113.906 -173.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -36.0 81.7 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.385 -0.822 . . . . 0.0 112.638 -176.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.6 m -64.54 -29.16 70.19 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.424 -0.798 . . . . 0.0 112.292 172.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -81.6 -33.92 31.26 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.508 1.123 . . . . 0.0 111.43 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -57.12 -47.36 81.29 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.197 0.999 . . . . 0.0 111.567 165.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.17 -33.63 69.44 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.755 0.822 . . . . 0.0 112.722 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.49 -54.67 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.603 0.638 . . . . 0.0 110.642 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.6 tp -54.87 -50.93 67.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.957 0.799 . . . . 0.0 111.761 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.76 -51.13 70.67 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.548 1.139 . . . . 0.0 112.007 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.25 -20.48 76.69 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 119.158 -0.801 . . . . 0.0 114.551 -175.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -113.5 -21.9 10.6 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.39 1.095 . . . . 0.0 113.917 -170.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 m -128.24 -26.95 2.75 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -165.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.4 55.68 1.02 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -65.81 -41.46 91.86 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.508 1.123 . . . . 0.0 112.787 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -131.08 80.26 1.93 Allowed 'General case' 0 C--O 1.232 0.135 0 C-N-CA 126.226 1.81 . . . . 0.0 108.544 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.6 tp -71.36 118.86 16.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.836 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.3 mm -106.86 -50.26 8.02 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 C-N-CA 126.947 2.099 . . . . 0.0 107.912 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -152.53 154.41 35.38 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.249 0.477 . . . . 0.0 110.982 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.41 148.3 34.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.322 0.582 . . . . 0.0 111.168 155.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.97 92.99 3.21 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 126.562 1.945 . . . . 0.0 107.729 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.3 tt -93.05 137.44 32.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.282 1.033 . . . . 0.0 109.623 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -145.36 134.29 22.51 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.951 1.3 . . . . 0.0 109.503 174.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 144.02 14.56 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.104 0.478 . . . . 0.0 111.288 162.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t -142.02 154.12 18.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 171.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.3 tp . . . . . 0 C--O 1.25 1.13 0 C-N-CA 128.383 2.673 . . . . 0.0 109.807 171.867 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 86.2 t 53.5 -67.0 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 128.919 2.888 . . . . 0.0 114.024 -174.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -134.07 89.51 2.58 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.352 1.861 . . . . 0.0 107.755 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 55.9 t30 49.24 -94.77 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.589 1.956 . . . . 0.0 113.137 -173.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -106.77 3.56 26.66 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 128.548 2.739 . . . . 0.0 112.826 -175.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.47 ' CE2' ' HE3' ' B' ' 29' ' ' LYS . 8.4 t80 50.62 55.86 8.86 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.997 2.119 . . . . 0.0 111.614 -175.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -39.65 147.47 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 130.505 3.522 . . . . 0.0 116.524 -164.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -72.49 166.95 21.62 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t 76.88 165.77 0.25 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 128.98 2.912 . . . . 0.0 112.23 -163.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -49.52 142.3 8.21 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 126.007 1.723 . . . . 0.0 114.108 -158.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -99.64 120.47 39.73 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.474 1.51 . . . . 0.0 108.858 170.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.412 HG22 HD12 ' B' ' 52' ' ' LEU . 70.9 t -108.5 114.88 47.86 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 125.296 1.438 . . . . 0.0 108.052 164.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 97.4 m -114.49 93.21 4.24 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp -108.98 161.48 15.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.213 1.005 . . . . 0.0 110.929 -174.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tt -150.35 124.0 9.14 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.046 0.939 . . . . 0.0 109.872 -173.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -117.33 166.3 12.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.444 1.098 . . . . 0.0 110.855 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -113.57 120.25 40.29 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.507 1.123 . . . . 0.0 109.971 162.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.85 162.49 23.97 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.453 1.501 . . . . 0.0 112.803 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.12 -23.35 65.45 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.097 1.359 . . . . 0.0 113.92 170.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -76.14 -2.73 32.46 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.369 0.986 . . . . 0.0 113.153 167.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.49 8.05 71.35 Favored Glycine 0 C--N 1.341 0.858 0 C-N-CA 124.919 1.247 . . . . 0.0 114.626 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -106.28 148.28 28.17 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 118.146 0.973 . . . . 0.0 112.436 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -90.4 136.55 32.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.908 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -140.13 143.06 36.01 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 122.096 0.95 . . . . 0.0 112.036 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -81.24 148.8 29.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.041 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -133.23 74.85 1.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.72 2.408 . . . . 0.0 107.49 170.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -77.87 125.19 28.97 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.255 1.422 . . . . 0.0 110.268 169.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -146.53 101.07 3.43 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 127.281 2.232 . . . . 0.0 110.405 -178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.47 ' HE3' ' CE2' ' B' ' 6' ' ' PHE . 51.5 tttm -107.67 153.5 22.83 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.692 0.797 . . . . 0.0 111.194 175.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.1 48.32 8.45 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 123.724 0.678 . . . . 0.0 112.702 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 pp -132.5 -165.87 1.66 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.717 1.207 . . . . 0.0 110.661 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.3 p -141.26 -178.28 5.52 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.465 -0.772 . . . . 0.0 111.465 172.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.78 -32.44 73.73 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -163.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 37.1 p -64.39 -29.6 70.66 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 170.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.25 -31.53 33.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.207 1.003 . . . . 0.0 111.279 175.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.53 -45.06 95.22 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.323 -0.86 . . . . 0.0 110.969 165.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -61.85 -29.03 69.91 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.77 -57.95 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 118.715 0.689 . . . . 0.0 109.833 165.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 19.9 tp -53.83 -48.38 69.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.023 0.929 . . . . 0.0 112.647 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -60.58 -31.91 71.04 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.111 1.365 . . . . 0.0 113.19 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.83 -24.91 16.17 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 118.628 0.649 . . . . 0.0 114.262 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -91.53 -31.9 15.76 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 124.53 1.132 . . . . 0.0 112.208 -172.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.0 p -64.24 -42.63 96.44 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.81 -9.21 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 128.512 2.725 . . . . 0.0 117.32 171.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.14 166.03 23.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.384 1.087 . . . . 0.0 112.233 166.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.36 120.48 16.08 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.289 1.036 . . . . 0.0 111.894 -171.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.82 129.61 27.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 124.534 1.134 . . . . 0.0 111.085 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mm -115.11 -56.85 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 127.406 2.282 . . . . 0.0 107.451 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -136.23 155.95 49.37 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.444 0.698 . . . . 0.0 111.48 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.9 tp -150.58 110.31 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.855 1.262 . . . . 0.0 108.786 172.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.72 111.5 23.72 Favored 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 124.553 1.141 . . . . 0.0 109.006 173.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.412 HD12 HG22 ' B' ' 12' ' ' VAL . 7.1 tt -109.26 139.63 43.93 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 169.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -148.78 119.81 7.69 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 123.944 0.898 . . . . 0.0 109.21 -174.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 125.75 27.07 Favored 'General case' 0 C--N 1.345 0.404 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 162.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 31.2 m -86.72 156.83 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.499 -155.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--O 1.249 1.039 0 C-N-CA 127.12 2.168 . . . . 0.0 111.905 170.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.474 0.739 0 CA-C-O 118.652 -0.689 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.47 -38.49 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 123.726 0.81 . . . . 0.0 112.149 -169.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -65.99 110.56 2.96 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 122.281 1.038 . . . . 0.0 111.283 172.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -70.33 151.85 44.8 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.821 168.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -79.73 33.24 0.26 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.419 1.888 . . . . 0.0 112.21 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 50.4 35.16 10.36 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.058 1.743 . . . . 0.0 112.826 -164.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -66.21 91.68 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 125.495 1.518 . . . . 0.0 113.604 -162.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.444 ' H ' HG21 ' A' ' 55' ' ' VAL . 19.1 t70 -159.14 -80.25 0.06 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.257 1.423 . . . . 0.0 108.909 171.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 t -146.75 176.96 9.47 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.1 1.76 . . . . 0.0 109.323 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -47.42 147.57 1.63 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.617 1.567 . . . . 0.0 114.263 -161.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.72 117.49 30.4 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 127.474 2.31 . . . . 0.0 109.286 -176.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.93 96.08 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.729 1.211 . . . . 0.0 110.563 -174.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -91.06 110.6 21.87 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.302 1.441 . . . . 0.0 109.431 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 tpt -121.57 147.18 46.16 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.358 1.463 . . . . 0.0 110.556 -163.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 tp -144.16 118.94 9.86 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 124.839 1.256 . . . . 0.0 111.488 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.34 171.13 7.7 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.487 172.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -123.71 126.85 47.27 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.512 1.125 . . . . 0.0 110.708 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -76.46 168.35 20.22 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.967 1.307 . . . . 0.0 110.512 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -58.72 -36.39 74.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.743 2.017 . . . . 0.0 113.348 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -81.32 -2.44 49.12 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.435 -0.791 . . . . 0.0 112.986 175.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.23 3.42 56.66 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 125.372 1.463 . . . . 0.0 113.894 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -70.47 117.41 11.97 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 118.643 1.221 . . . . 0.0 111.101 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -85.88 125.6 33.44 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 123.089 0.556 . . . . 0.0 110.47 176.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -127.06 113.64 16.71 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.854 0.835 . . . . 0.0 112.38 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -74.05 147.33 42.96 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.341 172.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -146.9 149.44 33.25 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.446 1.498 . . . . 0.0 110.35 164.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -118.56 108.99 15.65 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 124.681 1.192 . . . . 0.0 108.223 -170.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -114.46 81.51 1.56 Allowed 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 123.598 0.759 . . . . 0.0 108.997 -170.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -109.63 168.77 9.16 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.323 0.649 . . . . 0.0 112.746 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.28 37.98 63.01 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 123.703 0.668 . . . . 0.0 112.386 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 pp -135.55 -170.56 2.63 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.711 1.205 . . . . 0.0 110.233 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -133.3 -179.82 5.74 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 120.644 -1.285 . . . . 0.0 112.711 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.55 -32.39 71.45 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -172.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.5 m -69.14 -27.25 65.39 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -84.46 -30.67 25.06 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.681 1.192 . . . . 0.0 111.576 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -61.32 -42.29 98.42 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.523 -0.736 . . . . 0.0 111.451 165.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -60.95 -24.3 65.96 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.89 -49.27 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 118.638 0.654 . . . . 0.0 110.736 168.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.9 tp -56.15 -50.92 69.77 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.015 0.825 . . . . 0.0 111.463 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -64.62 -33.84 76.88 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.51 -23.02 55.16 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 115.049 0.78 . . . . 0.0 115.049 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -114.81 -31.56 6.09 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.511 1.155 . . . . 0.0 113.048 -172.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.1 m -127.22 -5.62 6.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.503 0.721 . . . . 0.0 112.382 -154.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.45 25.48 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.97 2.108 . . . . 0.0 115.096 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -62.96 99.77 0.18 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.166 2.186 . . . . 0.0 111.186 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 51.67 59.93 4.22 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.813 1.645 . . . . 0.0 113.267 -170.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.86 132.68 28.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.618 175.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.9 mm -115.81 -48.94 4.64 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 C-N-CA 127.063 2.145 . . . . 0.0 109.71 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -138.38 146.3 42.08 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.644 0.656 . . . . 0.0 110.722 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tt -151.25 103.06 2.98 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.186 1.394 . . . . 0.0 107.827 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -98.04 126.35 43.42 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.302 1.041 . . . . 0.0 108.905 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -124.85 133.44 53.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 170.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.43 134.77 46.55 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 125.086 1.355 . . . . 0.0 108.367 176.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 136.36 54.95 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.633 153.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.444 HG21 ' H ' ' A' ' 8' ' ' ASP . 34.1 m -89.09 139.5 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.043 -170.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 tp . . . . . 0 C--O 1.252 1.217 0 C-N-CA 127.548 2.339 . . . . 0.0 112.92 -167.668 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.506 ' H1 ' ' C ' ' B' ' 56' ' ' LEU . 13.3 tpt . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 p -88.4 93.64 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 122.362 1.077 . . . . 0.0 109.251 170.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -75.67 28.8 0.11 Allowed 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -161.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -135.95 -3.74 2.24 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 126.751 2.02 . . . . 0.0 113.393 172.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -140.24 -36.91 0.48 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.549 0.739 . . . . 0.0 111.877 -178.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -135.71 72.33 1.44 Allowed 'General case' 0 C--O 1.236 0.361 0 C-N-CA 125.499 1.52 . . . . 0.0 108.868 168.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -76.54 149.33 6.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.746 169.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.35 140.84 43.97 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 122.392 1.091 . . . . 0.0 111.127 173.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.6 m 141.79 -177.46 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 128.473 2.709 . . . . 0.0 108.738 -147.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -93.2 161.79 14.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.759 1.266 . . . . 0.0 110.829 156.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -108.62 142.1 39.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 127.186 2.194 . . . . 0.0 107.446 163.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -131.4 91.82 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 124.889 1.276 . . . . 0.0 108.167 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 6.8 m -80.33 141.33 35.54 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 164.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 43.8 ttm -149.51 155.1 39.81 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.795 0.725 . . . . 0.0 111.698 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -145.61 119.82 9.53 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.908 0.883 . . . . 0.0 110.439 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -117.69 175.98 5.39 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 125.848 1.659 . . . . 0.0 110.86 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -127.48 131.42 50.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.618 0.767 . . . . 0.0 110.565 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -75.96 162.35 28.16 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.563 1.145 . . . . 0.0 111.629 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -61.2 -22.6 64.91 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.04 -7.28 54.31 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.919 0.782 . . . . 0.0 112.645 171.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.39 5.02 65.69 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.706 1.145 . . . . 0.0 114.041 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -95.13 145.59 24.9 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 118.108 0.954 . . . . 0.0 111.005 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -99.73 140.49 33.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.492 -171.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -138.77 154.51 48.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 122.227 1.013 . . . . 0.0 111.244 -178.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -120.96 145.85 47.29 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.161 -163.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -137.72 155.9 48.59 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.244 1.418 . . . . 0.0 110.529 174.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -141.76 138.56 32.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.131 0.972 . . . . 0.0 109.654 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -143.82 83.44 1.75 Allowed 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 124.417 1.087 . . . . 0.0 109.64 -171.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.62 163.26 24.74 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.566 0.747 . . . . 0.0 110.725 172.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.0 29.99 52.64 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-O 119.615 -0.547 . . . . 0.0 113.744 163.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.57 -168.94 2.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.516 1.126 . . . . 0.0 111.046 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 17.7 p -131.54 178.77 6.48 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.284 -0.885 . . . . 0.0 113.341 -167.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt -58.0 -39.34 78.01 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.45 0.7 . . . . 0.0 112.744 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -68.22 -19.29 64.74 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.52 -32.55 15.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.681 1.192 . . . . 0.0 111.611 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -57.28 -44.55 84.11 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.26 0.624 . . . . 0.0 111.252 164.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.19 -25.62 67.16 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.112 0.965 . . . . 0.0 113.351 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.19 -57.21 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 118.69 -0.671 . . . . 0.0 109.812 169.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.09 -48.87 80.04 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.035 0.834 . . . . 0.0 111.974 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -63.85 -38.62 91.78 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.01 -19.03 75.79 Favored Glycine 0 C--N 1.34 0.762 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 -177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -121.3 -28.51 4.66 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 5.1 m -129.48 -8.54 4.65 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.809 0.443 . . . . 0.0 111.66 -155.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.74 62.0 0.17 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.254 1.422 . . . . 0.0 113.625 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.85 86.51 7.36 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.214 2.206 . . . . 0.0 110.912 -168.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 55.43 75.26 0.33 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.608 1.563 . . . . 0.0 110.826 -164.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.83 129.29 35.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.144 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 40.9 mm -113.49 -43.74 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 128.421 2.688 . . . . 0.0 109.316 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -140.97 154.31 45.99 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 123.956 0.902 . . . . 0.0 110.851 168.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 pp -145.85 159.02 43.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.97 0.89 . . . . 0.0 110.758 152.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -140.51 107.85 5.53 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.726 1.211 . . . . 0.0 109.033 173.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 24.2 tp -96.44 121.52 38.34 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 124.827 1.251 . . . . 0.0 108.068 169.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -144.18 110.72 5.58 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -166.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -62.67 114.42 3.58 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-O 121.69 0.757 . . . . 0.0 111.628 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 t -72.52 153.81 7.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 124.788 1.235 . . . . 0.0 110.597 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.506 ' C ' ' H1 ' ' B' ' 1' ' ' MET . 28.4 tp . . . . . 0 C--O 1.254 1.301 0 C-N-CA 127.978 2.511 . . . . 0.0 110.996 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.497 -1.069 0 CA-C-O 118.36 -0.828 . . . . 0.0 111.753 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.58 133.46 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 O-C-N 124.883 1.365 . . . . 0.0 111.859 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -97.65 76.78 2.52 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.447 1.099 . . . . 0.0 109.876 -175.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -124.27 -44.95 1.99 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 123.074 0.55 . . . . 0.0 112.067 -170.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -120.2 5.4 10.77 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -164.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 48.95 81.3 0.05 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 122.807 1.289 . . . . 0.0 110.339 -154.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -61.01 166.78 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 113.786 -1.552 . . . . 0.0 111.15 172.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -67.73 160.32 28.35 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.959 0.885 . . . . 0.0 112.511 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m 69.7 162.03 0.22 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 127.997 2.519 . . . . 0.0 113.5 -166.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -55.7 153.04 8.59 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.6 1.56 . . . . 0.0 113.781 -160.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -105.67 136.19 45.72 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 125.585 1.554 . . . . 0.0 109.332 170.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -127.42 140.95 47.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 126.196 1.799 . . . . 0.0 107.698 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.9 m -137.94 124.11 20.4 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.2 ttm -140.87 145.57 36.35 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.724 0.693 . . . . 0.0 112.811 -166.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.7 tp -123.03 122.34 38.27 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 127.025 2.13 . . . . 0.0 109.812 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -129.84 169.62 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.128 1.771 . . . . 0.0 109.402 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -135.44 111.89 9.88 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.633 0.73 . . . . 0.0 111.421 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.15 164.02 1.4 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.042 1.737 . . . . 0.0 112.249 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -59.74 -30.07 68.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.45 1.1 . . . . 0.0 112.674 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -74.5 -2.74 27.02 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.14 0.976 . . . . 0.0 112.899 172.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.69 6.57 85.37 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.791 1.186 . . . . 0.0 113.916 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -83.24 119.09 24.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.654 1.182 . . . . 0.0 110.409 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -74.48 138.55 43.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.767 0.318 . . . . 0.0 111.403 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -141.25 139.47 33.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 122.121 0.962 . . . . 0.0 111.62 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -122.04 129.74 52.68 Favored 'General case' 0 C--O 1.245 0.838 0 C-N-CA 126.238 1.815 . . . . 0.0 109.605 -170.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -144.6 149.84 36.45 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 124.732 1.27 . . . . 0.0 112.788 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -94.35 141.8 28.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.739 1.615 . . . . 0.0 109.628 167.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -145.72 92.6 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.641 1.576 . . . . 0.0 108.745 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.37 172.16 8.24 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.378 0.671 . . . . 0.0 112.107 -175.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.53 35.53 51.51 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 115.149 -0.932 . . . . 0.0 113.071 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -140.4 -166.96 2.23 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 125.157 1.383 . . . . 0.0 110.81 -171.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.1 p -134.78 179.92 6.0 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 120.954 -1.091 . . . . 0.0 113.632 -172.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD22 ' H ' ' A' ' 33' ' ' LEU . 2.2 mm? -66.09 -26.34 67.43 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -175.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.4 m -76.16 -28.59 57.42 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 124.13 0.972 . . . . 0.0 112.8 172.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -78.41 -29.33 47.14 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.695 0.798 . . . . 0.0 111.449 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.72 -45.14 93.07 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 118.824 -0.608 . . . . 0.0 111.342 164.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.44 -28.26 69.15 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 119.16 0.891 . . . . 0.0 113.067 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.5 t -67.5 -54.52 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 118.404 0.547 . . . . 0.0 110.319 169.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.1 tp -59.86 -42.71 94.27 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.88 0.764 . . . . 0.0 112.405 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -66.88 -47.75 70.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.357 1.463 . . . . 0.0 112.647 175.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.78 -33.53 9.04 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -168.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -81.4 -33.94 31.92 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.352 1.076 . . . . 0.0 112.656 -175.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 m -78.48 -26.74 46.14 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -160.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.02 2.68 0.11 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.312 2.645 . . . . 0.0 118.007 170.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -86.02 59.06 5.41 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.948 1.299 . . . . 0.0 111.696 -176.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 71.89 -28.98 0.19 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 129.866 3.266 . . . . 0.0 117.7 161.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm 58.45 110.76 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.257 1.823 . . . . 0.0 112.661 -172.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.8 mm -114.19 -54.24 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 113.86 -1.518 . . . . 0.0 108.385 -173.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -143.5 155.95 44.48 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.895 0.878 . . . . 0.0 110.043 168.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 pp -151.67 162.88 40.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.926 0.87 . . . . 0.0 111.578 162.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 ttp-105 -137.56 151.67 48.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 127.197 2.199 . . . . 0.0 109.33 171.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 tt -145.99 144.64 30.23 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.668 1.587 . . . . 0.0 108.983 172.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.71 134.28 30.09 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 125.736 1.614 . . . . 0.0 109.026 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 140.21 58.26 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.197 151.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.7 m -96.16 143.47 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.385 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.7 tp . . . . . 0 C--O 1.252 1.207 0 C-N-CA 127.131 2.172 . . . . 0.0 112.96 -167.79 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 CA--C 1.487 -1.447 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 p -136.52 -28.99 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 O-C-N 126.192 2.183 . . . . 0.0 113.667 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -133.84 143.77 48.54 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 123.769 0.828 . . . . 0.0 108.886 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -66.65 -64.21 0.9 Allowed 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 124.387 1.054 . . . . 0.0 110.911 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -148.16 39.88 0.93 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 122.721 1.248 . . . . 0.0 109.751 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . 0.265 28.9 p90 42.12 44.11 3.03 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.767 2.027 . . . . 0.0 114.083 -166.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.53 82.95 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 125.286 1.434 . . . . 0.0 109.894 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -146.54 -80.18 0.15 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.519 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -128.08 161.44 29.2 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.625 1.57 . . . . 0.0 109.66 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -51.73 145.34 9.55 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.529 1.131 . . . . 0.0 113.454 -155.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -94.31 135.98 35.11 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.415 1.886 . . . . 0.0 108.279 166.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.76 92.54 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 126.068 1.747 . . . . 0.0 108.114 172.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 61.8 m -91.11 117.17 29.39 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 124.927 1.291 . . . . 0.0 108.351 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 57.8 ttm -134.67 149.09 50.48 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 121.644 -0.66 . . . . 0.0 111.883 -171.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -128.28 110.95 12.87 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.631 1.572 . . . . 0.0 110.129 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.92 170.8 7.73 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 125.568 1.547 . . . . 0.0 110.599 173.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -128.0 119.65 25.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.828 0.851 . . . . 0.0 110.279 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.02 146.77 54.3 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 168.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.66 -8.83 45.87 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -175.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.9 -0.37 27.22 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.939 0.895 . . . . 0.0 112.944 165.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.07 8.27 59.08 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 125.874 1.702 . . . . 0.0 113.959 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -93.91 106.72 18.68 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.105 0.962 . . . . 0.0 110.074 -170.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -76.1 128.4 34.91 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.12 0.568 . . . . 0.0 110.94 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -130.92 122.53 27.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.969 0.89 . . . . 0.0 111.296 -177.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -76.67 147.76 37.26 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.987 170.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -140.92 150.63 43.4 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.62 1.168 . . . . 0.0 109.959 165.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -126.83 89.51 3.0 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.891 1.677 . . . . 0.0 108.638 -172.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -101.72 84.36 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -171.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.91 152.57 20.76 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 123.9 0.88 . . . . 0.0 112.541 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.03 23.59 34.65 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 124.056 0.836 . . . . 0.0 113.746 -174.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 mt -101.68 -174.56 2.62 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.423 1.489 . . . . 0.0 112.046 -173.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.0 p -133.63 176.16 8.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.365 -0.834 . . . . 0.0 110.042 166.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.08 -32.52 72.17 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 74.7 m -70.23 -27.31 64.36 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 174.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -81.14 -32.45 33.71 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.632 1.173 . . . . 0.0 111.226 175.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -58.57 -45.75 88.35 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.583 166.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.87 -25.21 64.87 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 63.4 t -71.0 -45.96 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 123.505 0.722 . . . . 0.0 111.648 171.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.19 -37.95 88.95 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.449 0.568 . . . . 0.0 111.544 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -67.59 -15.88 63.89 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.86 -35.7 92.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 121.144 -0.973 . . . . 0.0 112.678 165.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -80.13 -15.46 57.05 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 7.7 m -57.05 -20.34 24.18 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.383 1.473 . . . . 0.0 114.781 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.07 -9.24 0.82 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 172.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.48 40.73 1.23 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 72.14 70.36 0.15 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.908 2.083 . . . . 0.0 112.711 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 tt -67.49 151.88 10.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.951 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.3 mm -122.11 -53.69 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 126.008 1.723 . . . . 0.0 109.743 -172.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -139.61 159.46 42.11 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 123.455 0.702 . . . . 0.0 111.976 172.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tp -152.56 140.89 20.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.616 1.567 . . . . 0.0 108.961 169.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 41.9 ttp85 -135.51 127.36 29.36 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.851 2.061 . . . . 0.0 108.619 168.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 tt -128.36 146.37 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 122.959 0.503 . . . . 0.0 110.036 173.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' B' ' 55' ' ' VAL . 5.4 t0 -147.32 131.49 17.37 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.495 1.118 . . . . 0.0 108.369 -173.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.413 ' HB2' ' HE2' ' B' ' 54' ' ' LYS . 1.5 ptmm? -70.13 16.5 0.07 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 170.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.428 ' H ' ' C ' ' B' ' 53' ' ' ASP . 19.0 m 34.51 90.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 131.016 3.726 . . . . 0.0 114.266 -173.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.8 tp . . . . . 0 C--O 1.257 1.47 0 CA-C-N 111.287 -2.688 . . . . 0.0 110.276 -172.805 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 m -140.09 159.97 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 C-N-CA 124.782 1.233 . . . . 0.0 108.092 167.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -59.3 148.78 30.91 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.209 0.604 . . . . 0.0 111.732 174.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -81.81 -58.0 3.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 122.89 0.476 . . . . 0.0 109.956 164.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -152.78 88.66 1.35 Allowed 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.93 1.292 . . . . 0.0 108.487 174.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.42 ' CE2' ' HE2' ' A' ' 29' ' ' LYS . 14.6 t80 63.03 -37.03 0.15 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.231 2.212 . . . . 0.0 114.068 -165.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.3 t -102.02 132.11 48.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 128.415 2.686 . . . . 0.0 110.398 -175.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -159.39 -76.01 0.07 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.769 0.828 . . . . 0.0 110.544 150.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.595 ' H ' ' HA2' ' A' ' 30' ' ' GLY . 70.6 m -117.79 -167.68 1.38 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 129.1 2.96 . . . . 0.0 109.774 -174.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -44.16 115.07 0.77 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.438 1.495 . . . . 0.0 112.104 -169.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -70.94 146.65 49.37 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 161.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -137.89 96.46 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 128.294 2.637 . . . . 0.0 107.89 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -96.47 105.84 17.99 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 127.298 2.239 . . . . 0.0 107.905 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.02 154.81 32.5 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 120.595 1.543 . . . . 0.0 111.44 -178.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tt -147.85 111.29 4.95 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.02 0.928 . . . . 0.0 109.615 -175.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.67 170.84 7.96 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.505 1.122 . . . . 0.0 109.943 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -125.13 122.66 37.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.074 1.35 . . . . 0.0 110.681 172.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.4 162.38 29.52 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.793 1.237 . . . . 0.0 111.963 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -62.95 -21.7 66.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.658 1.583 . . . . 0.0 114.097 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -79.16 0.0 30.05 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 118.933 0.788 . . . . 0.0 112.701 169.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.45 4.13 74.07 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.454 1.502 . . . . 0.0 113.442 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -80.28 112.19 17.38 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.774 1.23 . . . . 0.0 110.869 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -74.07 132.07 41.96 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 170.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -137.51 156.85 47.66 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 122.157 0.979 . . . . 0.0 111.642 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -121.82 133.57 54.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.288 1.435 . . . . 0.0 110.251 -161.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -134.79 75.52 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.617 1.967 . . . . 0.0 108.381 -168.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -95.53 109.82 21.98 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.028 0.918 . . . . 0.0 111.062 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -115.28 143.99 44.41 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.095 2.158 . . . . 0.0 108.336 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HE2' ' CE2' ' A' ' 6' ' ' PHE . 4.2 mptt -130.66 152.77 49.66 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.76 0.424 . . . . 0.0 111.484 -170.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.595 ' HA2' ' H ' ' A' ' 9' ' ' SER . . . 71.38 32.44 65.04 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 118.678 -1.068 . . . . 0.0 114.162 171.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.4 mt -111.7 -151.94 0.49 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.928 1.364 . . . . 0.0 110.24 -169.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.1 p -147.17 175.04 11.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.841 -1.162 . . . . 0.0 112.345 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.76 -34.09 73.93 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 m -65.02 -33.97 77.32 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.759 0.708 . . . . 0.0 111.747 172.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -75.43 -36.19 60.81 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.283 -0.886 . . . . 0.0 111.357 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -59.21 -50.61 73.37 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.382 1.073 . . . . 0.0 111.515 167.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -54.82 -41.28 70.47 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.268 1.427 . . . . 0.0 111.798 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.74 -55.41 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 118.797 -0.62 . . . . 0.0 111.25 170.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.7 tp -61.75 -44.03 97.69 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.782 1.174 . . . . 0.0 113.115 -173.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.82 -32.11 72.39 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.425 1.09 . . . . 0.0 112.079 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.51 -33.44 11.53 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-N 118.824 0.738 . . . . 0.0 114.457 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -89.26 -29.71 19.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.708 1.203 . . . . 0.0 112.255 -170.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -62.17 -43.82 97.97 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 118.923 -0.56 . . . . 0.0 111.814 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.39 -14.56 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.21 2.604 . . . . 0.0 117.627 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.17 158.81 27.76 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 122.36 1.076 . . . . 0.0 111.253 169.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.35 108.45 1.95 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.207 -173.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.99 125.73 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 124.867 1.267 . . . . 0.0 110.843 176.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.3 mm -107.28 -42.91 6.44 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.082 0 C-N-CA 127.445 2.298 . . . . 0.0 108.108 178.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -143.89 150.63 38.7 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.305 1.042 . . . . 0.0 110.212 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HG ' ' HB3' ' B' ' 52' ' ' LEU . 3.8 pp -146.61 162.4 38.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.793 0.806 . . . . 0.0 110.018 149.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 ttp85 -142.53 124.44 15.2 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 127.625 2.37 . . . . 0.0 108.521 173.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 tt -118.31 144.94 45.46 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.787 1.635 . . . . 0.0 107.921 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -150.35 112.78 4.68 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -172.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -67.03 87.5 0.15 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 122.04 0.924 . . . . 0.0 110.781 170.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t -68.1 151.7 10.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 124.442 1.097 . . . . 0.0 110.558 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.5 tp . . . . . 0 C--O 1.248 0.986 1 C-N-CA 131.883 4.073 . . . . 0.0 114.506 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.1 m -62.01 143.02 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-O 123.427 1.584 . . . . 0.0 111.395 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.83 73.77 10.3 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 112.745 -2.025 . . . . 0.0 110.467 -170.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -62.0 -37.78 86.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.573 0.749 . . . . 0.0 113.009 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -140.32 -93.21 0.16 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.742 1.617 . . . . 0.0 109.17 170.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -114.89 -34.15 5.2 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.113 0.965 . . . . 0.0 112.621 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.25 0.8 OUTLIER 52.66 166.31 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 131.28 3.832 . . . . 0.0 116.736 170.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 89.05 -89.29 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 130.776 3.63 . . . . 0.0 113.008 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -168.66 -176.56 2.8 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.832 1.653 . . . . 0.0 108.734 -170.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -35.52 130.22 0.53 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.619 2.367 . . . . 0.0 112.902 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -105.12 103.26 12.77 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 127.232 2.213 . . . . 0.0 109.871 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.568 HG22 HD13 ' B' ' 52' ' ' LEU . 12.4 t -86.26 133.37 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 168.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 37.0 m -129.59 93.33 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 165.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 37.1 ttp -106.25 160.28 15.47 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.536 0.734 . . . . 0.0 111.071 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.3 120.04 8.08 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.611 0.764 . . . . 0.0 110.812 -168.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.42 174.83 5.92 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.406 1.883 . . . . 0.0 110.471 -174.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -132.15 124.68 29.56 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 124.269 1.028 . . . . 0.0 110.113 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.96 165.21 23.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.888 1.275 . . . . 0.0 112.393 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -54.47 -34.78 62.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.776 1.631 . . . . 0.0 112.87 171.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.26 0.22 14.88 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.301 -0.875 . . . . 0.0 113.2 173.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.28 6.05 89.42 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.312 1.434 . . . . 0.0 113.666 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -78.28 122.5 25.8 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.686 -0.89 . . . . 0.0 110.283 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -79.49 130.29 35.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.637 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -132.53 140.86 48.49 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.93 0.871 . . . . 0.0 111.712 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -88.05 152.12 22.26 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.038 1.335 . . . . 0.0 111.727 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -134.36 79.2 1.79 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.395 2.278 . . . . 0.0 108.133 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -73.96 116.72 14.91 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.589 1.556 . . . . 0.0 109.899 169.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -143.77 101.11 3.7 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.113 0.965 . . . . 0.0 110.626 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.67 168.18 9.99 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.504 0.722 . . . . 0.0 112.888 177.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.95 39.37 38.44 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.408 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 pp -135.32 -165.58 1.7 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.986 1.314 . . . . 0.0 109.442 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.0 p -137.81 -176.76 4.53 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.239 -0.913 . . . . 0.0 113.372 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.8 mt -57.74 -41.94 82.91 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -168.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -63.7 -31.7 72.95 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -79.12 -34.75 43.09 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.877 1.271 . . . . 0.0 111.811 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.32 -46.04 91.29 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.596 -0.69 . . . . 0.0 110.74 166.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.24 -30.53 69.48 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.772 0.829 . . . . 0.0 113.089 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 70.7 t -63.54 -52.2 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 118.677 0.672 . . . . 0.0 110.396 170.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 24.4 tp -57.76 -51.19 70.57 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.407 1.083 . . . . 0.0 111.628 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -60.2 -39.26 85.94 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.095 2.158 . . . . 0.0 112.451 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.29 -22.99 64.0 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-O 118.945 -0.92 . . . . 0.0 114.612 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -99.28 -37.86 9.1 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.981 1.39 . . . . 0.0 113.984 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m -78.06 -45.68 22.9 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.295 0.498 . . . . 0.0 111.672 -161.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.56 -1.82 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 128.93 2.892 . . . . 0.0 118.563 161.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -70.46 81.55 0.57 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.339 1.456 . . . . 0.0 113.045 -175.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 60.25 -16.22 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.771 2.828 . . . . 0.0 117.127 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . 0.292 3.2 tp 38.68 99.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 131.372 3.869 . . . . 0.0 113.081 172.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.7 mm -108.26 -47.03 7.6 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 C-N-CA 129.154 2.982 . . . . 0.0 109.073 -160.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -142.4 161.13 38.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.6 0.714 . . . . 0.0 110.975 169.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 tp -154.18 123.38 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.81 1.244 . . . . 0.0 107.939 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -115.22 143.53 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 165.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.568 HD13 HG22 ' B' ' 12' ' ' VAL . 53.7 tp -134.79 143.87 47.33 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 167.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -148.6 111.54 4.85 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.824 1.25 . . . . 0.0 108.025 -171.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -69.44 96.8 0.92 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.411 -0.806 . . . . 0.0 110.885 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.19 151.67 9.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.393 165.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.841 2.057 . . . . 0.0 108.675 -171.62 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.928 0 CA-C-O 118.939 -0.553 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.5 t -77.73 -40.59 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 124.173 0.92 . . . . 0.0 110.451 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -60.29 142.34 54.81 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.431 1.092 . . . . 0.0 111.631 167.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 58.44 20.2 7.22 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.261 1.424 . . . . 0.0 113.163 -174.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -135.24 -70.71 0.48 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.45 0.7 . . . . 0.0 111.645 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -94.08 -26.43 16.75 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.834 0.854 . . . . 0.0 111.8 169.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.3 t -118.66 95.62 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 125.849 1.659 . . . . 0.0 108.616 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -144.95 -68.73 0.3 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.841 0.856 . . . . 0.0 111.601 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m -140.95 -177.4 5.07 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 127.033 2.133 . . . . 0.0 109.13 -172.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -41.53 130.08 3.13 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.221 1.408 . . . . 0.0 113.816 -167.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -109.8 96.21 6.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 127.765 2.426 . . . . 0.0 109.007 -168.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.9 t -95.51 143.0 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.568 1.547 . . . . 0.0 110.307 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.6 m -144.28 118.47 9.51 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 124.143 0.977 . . . . 0.0 108.469 172.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.8 mtt -125.1 161.88 25.82 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.375 0.988 . . . . 0.0 113.035 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tt -141.87 115.61 9.14 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.507 1.523 . . . . 0.0 109.077 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.89 166.75 16.31 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.518 1.127 . . . . 0.0 109.78 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -125.55 118.04 24.89 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.257 1.023 . . . . 0.0 110.182 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.57 159.44 21.77 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.594 1.158 . . . . 0.0 111.924 175.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.93 -18.82 63.58 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.82 -3.14 36.87 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.654 0.782 . . . . 0.0 112.99 168.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.72 6.71 69.75 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 125.766 1.65 . . . . 0.0 113.581 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -85.8 112.43 21.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.481 1.112 . . . . 0.0 110.579 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -74.83 132.92 41.91 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.261 0.625 . . . . 0.0 110.943 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -136.26 154.13 50.99 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.107 0.963 . . . . 0.0 111.63 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -121.93 136.01 54.9 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.438 1.495 . . . . 0.0 110.897 -165.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -136.49 85.35 2.14 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.17 1.388 . . . . 0.0 110.404 -164.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -87.1 125.23 34.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.337 0.655 . . . . 0.0 110.324 172.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -144.61 98.66 3.23 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.36 1.064 . . . . 0.0 111.059 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.89 173.39 6.34 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.648 0.779 . . . . 0.0 112.672 177.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.17 31.07 66.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-O 119.59 -0.561 . . . . 0.0 113.342 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 pp -130.42 -163.06 1.27 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.551 1.14 . . . . 0.0 111.013 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.9 p -142.91 -177.39 5.31 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.144 -0.973 . . . . 0.0 112.83 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.64 -32.34 73.79 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -165.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 p -63.77 -31.94 73.27 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.675 1.19 . . . . 0.0 112.707 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.99 -31.23 34.81 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.221 1.008 . . . . 0.0 112.113 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -60.43 -45.68 92.77 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.443 -0.786 . . . . 0.0 110.9 165.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.38 -42.36 70.26 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.229 1.812 . . . . 0.0 112.488 174.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.67 -50.4 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.258 173.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -55.58 31.93 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.657 1.117 . . . . 0.0 110.908 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -59.71 -41.04 89.92 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.154 0.982 . . . . 0.0 112.23 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.9 -30.39 26.3 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-O 119.191 -0.783 . . . . 0.0 114.912 -174.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -82.12 -37.5 26.18 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.986 1.393 . . . . 0.0 111.394 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 p -65.7 -51.4 59.63 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.019 0.527 . . . . 0.0 111.49 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.98 17.57 0.68 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.288 2.235 . . . . 0.0 114.387 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -82.21 170.88 14.92 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.592 1.557 . . . . 0.0 111.975 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.51 100.71 0.52 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.008 0.923 . . . . 0.0 110.188 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 129.07 36.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.059 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -109.83 -45.84 6.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 127.644 2.377 . . . . 0.0 108.19 -176.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -140.46 148.34 41.0 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.537 1.535 . . . . 0.0 110.157 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -143.54 158.46 43.64 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.632 1.206 . . . . 0.0 111.738 149.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -139.82 147.19 40.38 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 127.362 2.265 . . . . 0.0 109.052 174.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.5 tt -144.67 135.49 24.81 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.832 1.653 . . . . 0.0 108.658 164.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -129.3 141.25 51.15 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.532 1.133 . . . . 0.0 108.726 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -64.06 153.29 37.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.916 0.865 . . . . 0.0 110.762 163.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.0 t -134.03 152.79 34.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 114.166 -1.379 . . . . 0.0 107.53 169.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.9 tp . . . . . 0 C--O 1.253 1.263 0 C-N-CA 128.285 2.634 . . . . 0.0 111.041 -179.802 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.9 ttm . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 117.671 -1.157 . . . . 0.0 112.903 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.7 m -114.31 -9.28 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.936 1.295 . . . . 0.0 114.205 -174.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -70.88 8.62 0.85 Allowed 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -82.03 -16.35 50.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.25 1.82 . . . . 0.0 112.442 166.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -139.78 -50.94 0.5 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.427 1.091 . . . . 0.0 110.888 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -85.82 60.45 6.24 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.669 1.188 . . . . 0.0 109.48 170.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.463 HG22 ' H ' ' B' ' 8' ' ' ASP . 9.8 p -60.85 175.83 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 127.119 2.168 . . . . 0.0 111.858 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.463 ' H ' HG22 ' B' ' 7' ' ' VAL . 7.5 p-10 -57.74 177.01 0.12 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -176.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 49.6 m 75.3 145.66 0.08 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 127.82 2.448 . . . . 0.0 112.221 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -52.17 149.82 5.02 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.934 2.094 . . . . 0.0 114.382 -154.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -117.07 93.81 4.33 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 126.778 2.031 . . . . 0.0 109.609 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.491 HG22 HD13 ' B' ' 52' ' ' LEU . 38.7 t -82.03 130.67 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 166.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 31.3 m -132.54 87.7 2.45 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.878 1.671 . . . . 0.0 107.028 172.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 6.0 mtp -94.43 168.44 10.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.913 0.885 . . . . 0.0 110.651 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.4 149.42 31.72 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.136 0.97 . . . . 0.0 111.218 157.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -134.72 172.29 13.16 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.275 1.83 . . . . 0.0 109.507 -172.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -119.93 141.43 49.64 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.328 0.651 . . . . 0.0 110.492 -175.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.69 171.68 8.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.398 1.079 . . . . 0.0 110.087 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.0 -35.33 76.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.652 1.181 . . . . 0.0 112.811 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -83.35 -2.34 55.52 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.451 1.1 . . . . 0.0 112.958 173.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.31 83.21 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-O 118.122 -1.377 . . . . 0.0 114.762 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -61.22 -24.45 66.36 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.999 1.9 . . . . 0.0 115.565 -166.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 59.09 136.56 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 128.381 2.672 . . . . 0.0 114.152 -167.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -139.93 141.63 36.46 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.644 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -81.01 151.87 28.21 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 122.2 1.0 . . . . 0.0 111.79 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -131.84 74.44 1.59 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 127.363 2.265 . . . . 0.0 107.512 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -78.86 117.86 20.36 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.201 1.8 . . . . 0.0 109.928 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -141.85 93.5 2.56 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 126.225 1.81 . . . . 0.0 109.632 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -120.49 147.21 45.43 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.649 1.18 . . . . 0.0 110.896 -172.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.65 36.62 6.06 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.146 0.879 . . . . 0.0 112.502 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.422 HD11 HG23 ' B' ' 12' ' ' VAL . 0.9 OUTLIER -137.05 -161.85 1.22 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.803 1.241 . . . . 0.0 110.724 -175.637 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.0 p -138.23 -178.28 5.21 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.17 -37.68 88.12 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.2 p -66.54 -25.68 66.78 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.913 -0.492 . . . . 0.0 112.145 173.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -81.17 -34.41 32.38 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.662 1.185 . . . . 0.0 111.595 175.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -58.59 -45.32 89.35 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.483 -0.76 . . . . 0.0 111.037 166.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.29 -26.94 65.4 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.33 -51.99 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.85 0.75 . . . . 0.0 110.648 170.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.475 HD23 HG11 ' B' ' 12' ' ' VAL . 62.6 tp -59.55 -46.59 88.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.284 0.634 . . . . 0.0 111.105 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -59.28 -55.49 34.14 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.322 1.049 . . . . 0.0 111.709 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.53 -19.68 76.52 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 118.953 -0.915 . . . . 0.0 114.879 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -96.26 -39.84 9.46 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.662 1.231 . . . . 0.0 112.597 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.1 m -124.21 -23.62 4.5 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -155.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.82 23.32 0.08 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -169.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.24 118.2 4.18 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.385 1.074 . . . . 0.0 110.163 174.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 49.68 58.56 5.3 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.071 1.748 . . . . 0.0 114.309 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 tt -63.48 151.33 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 1.2 mp -110.06 -55.81 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 127.753 2.421 . . . . 0.0 107.473 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -139.21 146.08 40.07 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.566 0.698 . . . . 0.0 112.573 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 tp -139.35 128.06 23.28 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 127.55 2.34 . . . . 0.0 108.408 170.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.21 136.62 52.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.67 1.988 . . . . 0.0 107.093 168.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.491 HD13 HG22 ' B' ' 12' ' ' VAL . 41.1 tp -142.66 127.17 17.87 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 171.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.43 146.08 49.12 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 123.738 0.815 . . . . 0.0 109.242 173.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -62.08 152.26 33.24 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 119.951 -0.7 . . . . 0.0 110.635 155.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -132.33 134.03 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 121.724 0.773 . . . . 0.0 109.231 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--O 1.248 0.98 0 C-N-CA 128.568 2.747 . . . . 0.0 109.561 -166.647 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptt? . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 118.007 -0.996 . . . . 0.0 109.689 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.9 m -53.29 163.76 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 119.578 1.081 . . . . 0.0 112.572 166.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -69.86 74.51 0.44 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.368 1.467 . . . . 0.0 112.879 -173.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -98.64 -20.56 16.91 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 126.137 1.775 . . . . 0.0 112.079 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -139.82 -168.77 2.57 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.347 1.859 . . . . 0.0 108.23 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -73.59 59.49 0.63 Allowed 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.041 -1.037 . . . . 0.0 111.513 168.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.96 100.25 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 123.969 0.908 . . . . 0.0 112.058 -165.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -156.62 -79.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.03 1.332 . . . . 0.0 109.026 168.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 t -144.15 171.58 14.1 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.783 1.633 . . . . 0.0 108.818 169.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -45.52 139.37 3.84 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.698 1.599 . . . . 0.0 113.561 -156.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -98.68 134.93 40.9 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.07 1.348 . . . . 0.0 109.19 166.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 t -127.49 92.69 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 126.0 1.72 . . . . 0.0 109.373 175.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.5 m -78.73 100.05 6.91 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 56.5 ttm -124.42 141.11 52.33 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.314 0.646 . . . . 0.0 110.628 -174.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.8 tp -137.64 128.53 27.21 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 127.174 2.19 . . . . 0.0 109.432 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -130.75 175.28 9.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.189 1.396 . . . . 0.0 110.318 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -136.71 119.88 16.66 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.381 0.673 . . . . 0.0 111.159 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -66.02 162.23 19.86 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.014 0.925 . . . . 0.0 112.05 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.19 -21.56 66.61 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -76.5 -8.56 57.42 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 170.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.74 6.49 60.7 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 125.463 1.506 . . . . 0.0 114.004 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -80.89 116.53 20.91 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.888 0.875 . . . . 0.0 110.653 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -78.9 136.79 37.39 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.119 172.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -142.03 144.29 33.56 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.354 0.597 . . . . 0.0 111.079 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -146.2 165.69 28.44 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.305 -174.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.77 161.73 37.02 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.739 158.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -80.43 87.17 5.67 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 125.105 1.362 . . . . 0.0 108.683 161.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.18 91.78 6.77 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -125.42 167.43 14.97 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -164.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.81 34.93 66.01 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.665 -174.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -135.83 -162.97 1.33 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.399 1.08 . . . . 0.0 110.474 -173.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.9 p -138.83 -179.4 5.81 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 120.941 -1.099 . . . . 0.0 113.493 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.7 -34.7 76.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -70.19 -26.91 64.11 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.187 -0.945 . . . . 0.0 113.131 173.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -80.59 -31.38 36.74 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 123.521 0.728 . . . . 0.0 112.347 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -59.23 -47.05 86.77 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.226 0.611 . . . . 0.0 110.972 166.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.89 -30.74 70.35 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.4 t -68.92 -50.45 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.34 168.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.6 tp -54.27 -50.9 66.2 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.36 0.982 . . . . 0.0 112.137 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -61.34 -37.63 83.98 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.33 1.052 . . . . 0.0 112.657 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.6 -26.19 43.61 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 114.792 0.677 . . . . 0.0 114.792 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -85.92 -41.23 15.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.148 0.979 . . . . 0.0 111.169 -177.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.6 p -69.99 -48.0 59.96 Favored 'General case' 0 C--O 1.221 -0.403 0 O-C-N 123.504 0.502 . . . . 0.0 112.309 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.94 0.7 0.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 118.25 2.685 . . . . 0.0 118.25 172.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -80.88 45.6 0.83 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.513 1.525 . . . . 0.0 112.748 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 65.33 -5.77 0.42 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.35 2.66 . . . . 0.0 117.373 157.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mm 62.91 142.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 127.559 2.344 . . . . 0.0 113.373 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.6 mm -119.59 -49.53 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 113.845 -1.525 . . . . 0.0 108.354 168.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -136.02 152.54 51.02 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-O 121.694 0.759 . . . . 0.0 111.628 170.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.8 tp -148.53 131.24 15.97 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.44 1.896 . . . . 0.0 108.126 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttt-85 -135.58 143.03 45.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.651 1.18 . . . . 0.0 107.904 166.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -141.32 147.31 37.93 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.715 0.806 . . . . 0.0 109.476 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -153.09 129.32 10.48 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.322 -172.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.437 ' HE3' HD13 ' B' ' 48' ' ' ILE 0.255 6.5 ptpt -70.96 18.27 0.06 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 173.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.2 m 37.11 96.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 130.817 3.647 . . . . 0.0 115.69 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.26 1.616 0 C-N-CA 127.913 2.485 . . . . 0.0 116.225 -162.929 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 CA--C 1.498 -1.038 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 38.6 t 67.34 -58.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.985 0 C-N-CA 127.458 2.303 . . . . 0.0 113.258 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -66.85 109.99 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.936 1.294 . . . . 0.0 110.93 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -78.93 -20.27 49.71 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -89.25 -68.73 0.76 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.492 0.717 . . . . 0.0 110.738 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.518 ' CZ ' ' HE2' ' B' ' 29' ' ' LYS . 87.3 m-85 -76.59 70.96 3.17 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.909 0.861 . . . . 0.0 109.484 163.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -72.77 153.79 7.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 125.372 1.469 . . . . 0.0 111.473 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -63.17 138.85 58.68 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 123.446 1.594 . . . . 0.0 113.144 175.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.7 m 141.07 -172.68 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 128.23 2.612 . . . . 0.0 107.826 -144.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -89.52 172.81 8.71 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 122.718 1.247 . . . . 0.0 109.635 149.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.44 146.22 49.6 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 129.265 3.026 . . . . 0.0 106.845 172.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -133.35 142.23 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 127.109 2.163 . . . . 0.0 109.733 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 96.8 m -138.93 140.36 38.3 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.254 1.422 . . . . 0.0 108.249 167.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.7 tpp -145.8 148.92 33.45 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.647 0.779 . . . . 0.0 109.241 -169.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -141.96 121.95 13.69 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.177 0.991 . . . . 0.0 109.442 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.453 ' CD1' HD13 ' B' ' 47' ' ' ILE . 1.6 mm? -118.75 171.51 8.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.431 1.892 . . . . 0.0 110.622 -173.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -136.82 118.98 15.49 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 124.005 0.922 . . . . 0.0 110.59 172.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.51 160.4 22.35 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.709 0.804 . . . . 0.0 111.601 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.24 -25.83 65.96 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -76.74 -0.36 23.44 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.527 0.731 . . . . 0.0 112.866 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.45 6.37 70.88 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.81 1.672 . . . . 0.0 114.349 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -87.79 115.19 25.07 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.849 1.26 . . . . 0.0 110.47 -175.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -75.83 140.37 42.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.662 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -143.16 148.71 36.98 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 122.36 1.076 . . . . 0.0 111.797 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -112.33 142.84 44.35 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.727 2.011 . . . . 0.0 110.466 -171.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -153.85 109.55 3.23 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.228 -167.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -121.69 150.16 42.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.634 0.73 . . . . 0.0 110.995 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -152.31 104.48 2.94 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.698 1.199 . . . . 0.0 109.599 -170.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.518 ' HE2' ' CZ ' ' B' ' 6' ' ' PHE . 75.4 mttt -90.22 168.37 11.99 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.008 0.923 . . . . 0.0 109.617 171.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.32 38.48 91.49 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 119.588 -0.562 . . . . 0.0 114.314 169.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.05 -162.65 1.28 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.176 0.99 . . . . 0.0 111.596 -177.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 28.7 p -133.34 176.55 8.43 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.21 -0.931 . . . . 0.0 113.102 -176.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.35 -37.23 82.6 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 49.2 m -65.01 -30.5 71.49 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -77.61 -31.4 52.86 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.04 0.936 . . . . 0.0 112.062 175.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -61.2 -45.28 95.24 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.742 -0.599 . . . . 0.0 111.893 167.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -60.93 -31.21 70.75 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.15 -51.22 62.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.009 169.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.22 -53.29 59.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.356 0.98 . . . . 0.0 111.013 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -57.63 -49.07 77.67 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.708 1.203 . . . . 0.0 112.131 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.51 -28.52 35.66 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-O 119.19 -0.783 . . . . 0.0 115.012 -171.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -89.71 -39.78 12.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.767 1.283 . . . . 0.0 111.626 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 38.2 m -81.3 -50.66 9.25 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 119.424 -0.322 . . . . 0.0 110.677 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.89 -1.12 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 119.888 3.292 . . . . 0.0 119.888 164.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -64.94 92.17 0.1 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.708 1.203 . . . . 0.0 113.395 -171.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 66.99 -35.08 0.24 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 129.474 3.11 . . . . 0.0 115.814 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' B' ' 16' ' ' LEU . 18.4 mm 56.8 107.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 127.399 2.279 . . . . 0.0 112.11 -170.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.437 HD13 ' HE3' ' A' ' 54' ' ' LYS . 45.5 mm -108.14 -51.76 7.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.817 -177.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -140.75 156.38 46.2 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.394 1.077 . . . . 0.0 109.487 170.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 pp -152.7 164.94 36.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.886 0.85 . . . . 0.0 111.278 154.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -142.07 145.83 34.77 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.259 2.224 . . . . 0.0 109.519 173.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 tt -142.56 144.82 33.07 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.982 1.313 . . . . 0.0 109.501 164.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.86 134.84 35.58 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.48 1.512 . . . . 0.0 107.616 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -68.04 139.82 56.29 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.572 0.701 . . . . 0.0 109.265 154.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -124.73 145.71 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 125.551 1.54 . . . . 0.0 109.347 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.247 0.926 0 C-N-CA 128.316 2.647 . . . . 0.0 113.075 -169.179 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 CA--C 1.511 -0.528 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.7 152.99 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 122.381 1.086 . . . . 0.0 111.952 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -76.19 76.33 3.01 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.653 171.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -69.5 -39.23 77.71 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.71 168.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -138.78 -177.0 4.68 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 150.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -52.18 120.97 6.03 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.815 0.817 . . . . 0.0 111.807 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -115.83 142.77 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 113.951 -1.477 . . . . 0.0 111.714 -155.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t70 69.55 -64.97 0.32 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 128.121 2.568 . . . . 0.0 115.696 167.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t -155.92 -177.36 6.52 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.642 1.577 . . . . 0.0 110.604 -169.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -42.93 131.55 4.14 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.479 1.511 . . . . 0.0 113.178 -167.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 26.4 t70 -77.47 148.23 35.49 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.008 156.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -135.06 92.71 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 125.921 1.688 . . . . 0.0 108.443 159.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 m -68.36 124.22 22.92 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 165.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.53 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 1.8 tpp -139.24 148.5 43.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.775 0.798 . . . . 0.0 111.495 -177.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.53 ' N ' ' HG3' ' A' ' 14' ' ' MET . 0.1 OUTLIER -149.07 128.33 12.9 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.123 -176.362 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.35 168.31 10.75 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 113.574 -1.648 . . . . 0.0 109.308 175.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -86.45 156.6 20.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.543 153.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.15 177.76 8.36 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 122.022 0.915 . . . . 0.0 112.333 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.0 -19.39 64.3 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 -161.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.8 -5.06 27.33 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 171.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.06 13.89 65.5 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 124.587 1.089 . . . . 0.0 113.075 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -128.72 156.59 43.27 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 125.169 1.388 . . . . 0.0 110.241 -171.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -81.12 150.54 28.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.391 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -141.41 141.16 33.76 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.969 0.89 . . . . 0.0 111.115 176.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -132.15 133.18 43.96 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.003 -1.453 . . . . 0.0 110.308 -159.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.0 159.44 44.21 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 122.525 1.155 . . . . 0.0 112.41 165.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -83.87 139.91 32.33 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 112.857 -1.974 . . . . 0.0 111.716 161.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -126.7 81.09 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.011 0.924 . . . . 0.0 108.509 172.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -103.39 167.77 9.6 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -170.534 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.15 37.09 91.19 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.806 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.97 -167.37 1.94 Allowed 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.463 1.105 . . . . 0.0 109.613 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 p -139.08 179.6 6.41 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 120.886 -1.134 . . . . 0.0 112.939 -173.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.66 -26.63 68.47 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.8 p -77.94 -24.8 48.12 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 171.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -79.16 -32.51 44.31 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.964 1.306 . . . . 0.0 111.305 171.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.403 ' HE1' HD11 ' A' ' 50' ' ' LEU . 23.0 t80 -59.19 -43.27 92.21 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.861 0.864 . . . . 0.0 111.759 167.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -60.91 -28.79 69.17 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 174.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.3 t -69.37 -49.09 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 119.135 -0.459 . . . . 0.0 110.573 170.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.3 tp -59.37 -48.0 83.31 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.696 0.68 . . . . 0.0 111.466 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -67.63 -23.01 65.3 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.03 -25.3 27.23 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-O 119.513 -0.604 . . . . 0.0 114.468 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -118.71 -21.93 7.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.928 0.864 . . . . 0.0 113.109 -167.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.2 m -129.2 -6.64 4.85 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -164.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.1 18.89 0.06 Allowed 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.42 113.27 5.84 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.291 1.036 . . . . 0.0 113.118 -176.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 59.02 53.73 5.4 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 126.651 1.98 . . . . 0.0 112.673 -172.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.5 tt -64.46 151.63 9.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.0 mm -135.34 -57.3 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.745 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.456 ' HB2' HD23 ' A' ' 15' ' ' LEU . 37.3 mttm -138.56 157.54 45.96 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-O 122.061 0.934 . . . . 0.0 111.853 176.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.403 HD11 ' HE1' ' A' ' 36' ' ' PHE . 6.1 tt -154.93 123.72 6.15 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.239 1.816 . . . . 0.0 107.872 -176.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -130.52 90.84 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.263 1.425 . . . . 0.0 108.662 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.2 tt -81.33 138.23 35.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.388 165.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -149.9 129.41 13.05 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -55.76 153.34 8.38 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-O 122.963 1.363 . . . . 0.0 111.967 170.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.67 159.89 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 113.511 -1.677 . . . . 0.0 111.662 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.0 tp . . . . . 0 C--N 1.313 -1.01 0 CA-C-N 111.129 -2.759 . . . . 0.0 112.611 177.21 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.1 tpt . . . . . 0 N--CA 1.471 0.593 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -128.23 166.96 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 125.003 1.321 . . . . 0.0 108.407 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -70.54 27.42 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -173.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -145.12 -19.32 0.49 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.824 1.649 . . . . 0.0 114.789 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.78 -32.61 12.62 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 120.33 1.423 . . . . 0.0 113.637 -167.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -65.54 -14.23 60.62 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 161.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.271 7.5 p 40.93 59.55 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 129.694 3.198 . . . . 0.0 114.293 170.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -154.49 -147.1 0.2 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.385 1.074 . . . . 0.0 109.576 -178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -98.94 -176.25 3.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.886 2.074 . . . . 0.0 109.535 162.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -43.68 134.64 4.17 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.971 1.308 . . . . 0.0 112.166 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -95.44 130.6 42.2 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 124.743 1.217 . . . . 0.0 109.962 169.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -115.6 124.91 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 124.804 1.241 . . . . 0.0 108.194 167.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 86.8 m -122.98 95.26 4.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 125.546 1.538 . . . . 0.0 107.067 172.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.3 ttp -113.46 147.37 37.98 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.119 0.967 . . . . 0.0 109.156 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -131.79 134.26 45.63 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.152 1.381 . . . . 0.0 109.525 -175.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -124.38 169.07 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.209 1.403 . . . . 0.0 109.952 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -108.05 136.52 47.59 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 122.815 1.293 . . . . 0.0 111.411 173.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.92 160.93 27.03 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.567 1.547 . . . . 0.0 110.944 175.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -65.07 -21.07 66.76 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.8 -13.62 59.84 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 169.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.77 5.19 58.76 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.956 1.265 . . . . 0.0 114.126 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -76.52 165.86 24.21 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 117.769 0.785 . . . . 0.0 110.011 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -89.02 151.9 22.0 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.906 -0.496 . . . . 0.0 110.394 169.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -138.21 157.77 45.62 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.098 0.951 . . . . 0.0 111.228 160.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -103.73 150.32 24.16 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.538 -171.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -131.44 73.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 128.112 2.565 . . . . 0.0 107.497 166.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -86.53 120.71 28.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.406 1.482 . . . . 0.0 110.162 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -142.96 84.55 1.84 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 126.915 2.086 . . . . 0.0 110.633 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -68.78 143.7 54.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.94 164.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.91 51.31 4.82 Favored Glycine 0 CA--C 1.519 0.299 0 O-C-N 123.394 0.434 . . . . 0.0 113.925 163.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.88 -162.8 1.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.206 0.603 . . . . 0.0 109.746 172.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -137.73 177.6 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.057 -1.027 . . . . 0.0 112.32 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.25 -32.52 73.23 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -174.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -71.76 -31.93 67.15 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 173.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -75.56 -32.57 60.44 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.272 0.629 . . . . 0.0 111.619 174.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.81 -40.32 97.0 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.612 -0.68 . . . . 0.0 111.673 170.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.63 -36.34 76.15 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 173.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.88 -48.16 80.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 119.033 -0.508 . . . . 0.0 110.797 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 50.4 tp -58.82 -54.05 51.48 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.239 1.016 . . . . 0.0 112.48 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -61.43 -41.7 97.59 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.35 -31.23 76.52 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.39 -0.672 . . . . 0.0 114.629 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -86.54 -24.79 25.35 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 118.04 0.92 . . . . 0.0 112.728 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 55.2 m -66.74 -63.89 0.97 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.107 0.563 . . . . 0.0 111.221 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 46.77 33.26 2.05 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -114.03 -179.41 3.63 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.785 1.234 . . . . 0.0 111.146 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.4 90.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 125.712 1.605 . . . . 0.0 112.029 -176.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -64.31 131.1 29.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 124.479 1.112 . . . . 0.0 110.816 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mm -116.3 -53.62 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 113.225 -1.807 . . . . 0.0 108.088 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -142.56 151.85 41.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.756 0.822 . . . . 0.0 109.687 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tp -148.07 110.96 4.8 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.369 1.068 . . . . 0.0 108.796 171.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.38 107.17 15.87 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.19 1.396 . . . . 0.0 109.061 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.8 tt -105.47 139.43 40.1 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 123.292 0.637 . . . . 0.0 109.487 169.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -151.91 104.27 2.99 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -167.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -57.99 139.97 53.33 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 122.462 1.125 . . . . 0.0 111.972 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.5 t -129.49 145.74 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.356 -1.747 . . . . 0.0 107.104 160.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 C--O 1.249 1.038 0 CA-C-N 114.5 -1.227 . . . . 0.0 112.083 -161.485 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 ttt . . . . . 0 CA--C 1.509 -0.631 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.3 m -94.95 -17.01 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.927 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 38.54 32.57 0.05 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 129.779 3.232 . . . . 0.0 116.284 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -72.78 -22.85 60.77 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.94 1.696 . . . . 0.0 112.15 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -83.95 4.52 29.32 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 127.211 2.205 . . . . 0.0 112.364 171.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 68.14 5.68 4.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.47 1.908 . . . . 0.0 113.829 -172.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.659 HG22 ' H ' ' A' ' 8' ' ' ASP 0.301 2.1 p 55.53 -175.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 130.14 3.376 . . . . 0.0 116.152 169.191 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.659 ' H ' HG22 ' A' ' 7' ' ' VAL . 24.9 t0 -113.31 172.54 6.89 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.559 1.944 . . . . 0.0 111.444 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 86.76 -142.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.749 2.02 . . . . 0.0 109.589 -164.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -105.51 170.77 7.7 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 123.604 1.669 . . . . 0.0 112.808 168.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -129.53 129.04 43.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 130.453 3.501 . . . . 0.0 107.966 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.86 121.59 61.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 125.219 1.408 . . . . 0.0 109.144 -175.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.1 m -123.9 102.46 7.8 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -175.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.5 ttm -126.97 149.46 49.85 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.534 0.683 . . . . 0.0 112.039 -164.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 tt -136.94 106.9 6.27 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.017 1.727 . . . . 0.0 109.817 -174.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -108.63 164.41 12.39 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.649 0.738 . . . . 0.0 110.467 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -104.69 121.76 44.25 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.15 1.38 . . . . 0.0 110.95 170.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -79.48 173.12 12.91 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.737 2.415 . . . . 0.0 112.638 176.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -64.93 -24.34 67.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.72 -6.21 59.35 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.365 0.666 . . . . 0.0 112.663 172.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.04 19.45 79.78 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.014 0.816 . . . . 0.0 114.29 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -85.1 -26.82 26.69 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.491 1.116 . . . . 0.0 112.823 -173.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 70.8 145.73 0.06 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 128.906 2.882 . . . . 0.0 112.557 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -141.04 135.54 31.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.928 0.871 . . . . 0.0 111.64 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -114.48 132.14 56.38 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 127.586 2.354 . . . . 0.0 109.373 -173.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -150.44 142.56 24.07 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.763 0.792 . . . . 0.0 112.952 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -92.45 138.87 31.15 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.146 1.378 . . . . 0.0 110.8 173.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -145.37 98.52 3.16 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.276 1.43 . . . . 0.0 109.651 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.23 170.31 10.39 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.37 32.4 57.98 Favored Glycine 0 CA--C 1.525 0.659 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.66 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 pp -139.35 171.2 14.62 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 126.005 1.722 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 p -113.46 -179.79 3.74 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -162.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.3 mt -56.61 -39.86 74.33 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.401 0.681 . . . . 0.0 112.432 175.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.1 m -66.07 -30.47 70.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.997 0.919 . . . . 0.0 112.997 175.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -82.33 -34.88 28.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.587 1.155 . . . . 0.0 111.371 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.14 -46.79 82.4 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.384 1.074 . . . . 0.0 111.048 165.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.46 -29.87 68.11 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.781 0.832 . . . . 0.0 113.201 175.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.3 t -68.06 -55.41 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 118.575 0.625 . . . . 0.0 109.889 169.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -60.07 -42.89 95.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.242 0.928 . . . . 0.0 112.85 -177.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -69.63 -38.43 77.2 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.301 1.04 . . . . 0.0 112.829 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.79 -20.46 24.09 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 115.64 1.016 . . . . 0.0 115.64 -169.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -104.77 -24.9 12.85 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.682 1.241 . . . . 0.0 113.391 -172.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 83.3 m -68.29 -33.17 73.86 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.254 1.021 . . . . 0.0 112.444 -170.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.54 -0.26 0.06 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.198 2.599 . . . . 0.0 117.455 176.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -72.3 146.99 46.81 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.169 0.895 . . . . 0.0 110.481 162.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -66.81 116.11 7.33 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.875 0.47 . . . . 0.0 111.247 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.38 128.14 32.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 123.989 0.916 . . . . 0.0 111.244 176.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.3 mm -112.69 -49.77 5.75 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 127.604 2.362 . . . . 0.0 108.568 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -138.32 154.85 48.98 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.842 0.83 . . . . 0.0 111.299 169.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 tt -157.9 132.18 8.21 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.428 1.491 . . . . 0.0 108.302 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.407 HH21 ' CG ' ' A' ' 53' ' ' ASP . 25.1 mmm-85 -125.18 142.5 51.46 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 126.541 1.937 . . . . 0.0 108.645 164.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 tp -133.63 127.52 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.76 2.024 . . . . 0.0 105.695 169.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' CG ' HH21 ' A' ' 51' ' ' ARG . 1.8 m-20 -132.49 127.04 34.37 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.128 1.371 . . . . 0.0 107.8 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -63.32 121.7 14.38 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 121.144 -0.972 . . . . 0.0 108.51 161.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.8 101.95 12.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 122.266 1.031 . . . . 0.0 109.819 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.1 tp . . . . . 0 C--O 1.249 1.076 0 C-N-CA 130.496 3.518 . . . . 0.0 114.515 -164.491 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.4 tpt . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.5 m -92.62 176.33 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 121.786 0.803 . . . . 0.0 111.688 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.48 ' OE1' ' HE2' ' B' ' 29' ' ' LYS . 53.2 tp60 -69.42 104.44 2.29 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.889 1.276 . . . . 0.0 110.024 166.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -111.43 -78.11 0.59 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 165.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -133.15 -169.54 2.29 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.058 2.143 . . . . 0.0 107.109 162.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -63.38 70.69 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 122.312 1.054 . . . . 0.0 111.61 159.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.26 140.86 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 125.984 1.713 . . . . 0.0 108.35 167.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -67.94 160.28 28.88 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -173.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.6 t 73.34 170.07 0.31 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.463 1.905 . . . . 0.0 111.425 -161.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -49.1 143.05 6.16 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.708 1.603 . . . . 0.0 114.099 -161.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -112.63 115.65 28.93 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 128.238 2.615 . . . . 0.0 109.311 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.466 HG23 HD11 ' B' ' 31' ' ' LEU . 73.0 t -102.02 124.16 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 C-N-CA 124.401 1.081 . . . . 0.0 108.709 171.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 47.8 m -121.31 95.8 4.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 32.4 ttp -103.22 158.88 16.01 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.331 0.653 . . . . 0.0 111.205 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.87 119.99 8.85 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.036 1.334 . . . . 0.0 110.416 -171.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -117.32 172.58 7.21 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.546 1.538 . . . . 0.0 110.659 -173.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -122.33 136.17 54.85 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.959 0.904 . . . . 0.0 111.609 172.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -82.17 164.84 21.0 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.101 1.76 . . . . 0.0 111.911 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -60.73 -31.18 70.5 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.838 1.255 . . . . 0.0 112.923 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -73.54 -9.78 59.04 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.382 -0.824 . . . . 0.0 112.788 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.74 0.7 66.37 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.393 1.473 . . . . 0.0 114.204 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -80.51 148.55 30.38 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.468 1.134 . . . . 0.0 111.134 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -106.61 138.97 41.81 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 123.59 0.756 . . . . 0.0 110.35 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -140.55 150.26 43.45 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.87 0.843 . . . . 0.0 112.32 -173.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -94.06 156.02 16.8 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.554 1.142 . . . . 0.0 113.087 -173.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -136.53 82.41 1.94 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.352 2.661 . . . . 0.0 108.091 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -79.44 120.29 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.342 1.457 . . . . 0.0 110.264 172.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -140.15 95.76 2.94 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.361 1.464 . . . . 0.0 110.484 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.48 ' HE2' ' OE1' ' B' ' 3' ' ' GLN . 57.7 mttm -100.97 165.32 11.39 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.163 0.985 . . . . 0.0 111.902 -173.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.07 61.72 6.3 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.873 1.225 . . . . 0.0 112.849 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.466 HD11 HG23 ' B' ' 12' ' ' VAL . 1.5 pp -140.34 -160.37 1.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.446 1.099 . . . . 0.0 110.584 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.5 p -141.7 179.87 6.58 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.693 -1.254 . . . . 0.0 113.277 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.0 -36.58 84.46 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 94.7 p -68.53 -23.31 64.51 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 172.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -82.55 -36.78 25.98 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.381 1.072 . . . . 0.0 110.926 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -57.93 -41.79 83.48 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.722 -0.611 . . . . 0.0 111.384 167.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.07 -29.92 68.87 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 174.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.53 -52.28 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 118.863 0.756 . . . . 0.0 109.606 170.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 tp -59.87 -51.9 67.73 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.107 0.412 . . . . 0.0 111.242 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.81 -26.36 68.59 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.732 0.813 . . . . 0.0 113.029 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.76 -21.21 48.0 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.188 -0.785 . . . . 0.0 114.935 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -119.23 -27.75 5.58 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.836 1.318 . . . . 0.0 113.695 -173.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.3 m -124.01 -3.94 8.05 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.229 1.412 . . . . 0.0 112.086 -160.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.8 37.19 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.384 1.873 . . . . 0.0 114.044 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -73.49 86.83 1.57 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.472 1.909 . . . . 0.0 111.809 -169.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 61.43 68.78 0.69 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.365 1.866 . . . . 0.0 110.752 -167.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.32 125.47 27.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 126.059 1.744 . . . . 0.0 112.009 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.5 mm -107.68 -41.69 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 128.143 2.577 . . . . 0.0 109.769 -175.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -154.75 165.41 36.69 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 111.577 159.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -146.91 157.59 43.68 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 122.04 0.924 . . . . 0.0 111.425 160.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -117.11 144.32 44.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.827 2.051 . . . . 0.0 108.832 167.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.9 tp -134.25 123.59 24.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.212 1.805 . . . . 0.0 107.523 165.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -139.33 118.06 12.33 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.099 0.959 . . . . 0.0 109.046 -170.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -69.04 96.52 0.8 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.411 0.624 . . . . 0.0 110.699 175.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.69 143.39 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 160.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 25.8 tp . . . . . 0 C--O 1.25 1.123 0 C-N-CA 128.094 2.558 . . . . 0.0 113.482 -169.004 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.467 0.381 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t 63.1 86.36 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.198 1.399 . . . . 0.0 109.236 -160.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -77.43 31.62 0.15 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.162 1.785 . . . . 0.0 114.458 -166.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -134.31 -7.43 2.6 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.113 2.565 . . . . 0.0 112.14 176.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -134.2 -41.69 0.81 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.957 1.303 . . . . 0.0 111.214 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -131.04 67.52 1.51 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.371 1.469 . . . . 0.0 109.462 170.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.23 155.27 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.175 165.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.45 147.03 46.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 123.143 1.449 . . . . 0.0 112.039 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 m 144.6 -175.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.98 2.912 . . . . 0.0 109.437 -150.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -94.75 158.23 15.6 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.604 1.192 . . . . 0.0 109.863 158.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 51' ' ' ARG . 1.7 t0 -107.51 137.71 45.05 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 130.871 3.668 . . . . 0.0 105.714 163.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -130.93 89.84 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 C-N-CA 127.209 2.204 . . . . 0.0 107.154 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.2 m -96.38 101.62 13.28 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.525 1.13 . . . . 0.0 108.296 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ttp -118.71 161.02 20.79 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.85 0.86 . . . . 0.0 109.868 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pp -152.15 158.82 43.46 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 122.652 1.215 . . . . 0.0 112.136 163.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -135.96 171.09 14.97 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 127.195 2.198 . . . . 0.0 110.039 -169.53 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -119.86 132.11 55.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.757 0.823 . . . . 0.0 110.682 173.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.24 161.38 29.38 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.292 1.037 . . . . 0.0 111.863 174.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.87 -23.71 66.46 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 173.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.21 -2.18 23.72 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.035 0.934 . . . . 0.0 112.92 170.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.97 6.08 76.2 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 125.397 1.475 . . . . 0.0 114.799 173.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -98.72 150.24 22.01 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.985 0.914 . . . . 0.0 111.475 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -88.58 148.55 24.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.691 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -143.41 143.31 31.57 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 124.049 0.939 . . . . 0.0 110.662 173.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -83.62 153.42 24.29 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 122.454 1.121 . . . . 0.0 112.68 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -129.52 69.73 1.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 128.29 2.636 . . . . 0.0 106.427 164.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -86.39 118.58 25.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.578 1.551 . . . . 0.0 109.564 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -134.11 146.49 50.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 125.271 1.428 . . . . 0.0 108.865 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.63 168.25 23.31 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.27 0.628 . . . . 0.0 110.109 164.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.12 62.27 Favored Glycine 0 CA--C 1.533 1.208 0 O-C-N 123.656 0.597 . . . . 0.0 112.89 -173.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -127.34 -176.95 3.89 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.868 1.667 . . . . 0.0 110.779 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 p -131.67 177.6 7.39 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.431 0.692 . . . . 0.0 112.819 -171.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.53 -33.92 75.88 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.515 -0.74 . . . . 0.0 112.381 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.0 m -71.36 -19.02 62.34 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.909 0.884 . . . . 0.0 113.041 174.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -89.32 -34.77 16.44 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.524 1.13 . . . . 0.0 110.876 174.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.65 -42.1 92.04 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.428 0.691 . . . . 0.0 112.018 166.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -53.43 -38.56 63.62 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.962 1.305 . . . . 0.0 111.794 173.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.2 t -71.35 -49.06 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.183 0.993 . . . . 0.0 111.19 174.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.6 tp -58.11 -50.64 72.77 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.88 0.763 . . . . 0.0 111.75 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -63.44 -37.09 85.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.933 0.493 . . . . 0.0 111.65 175.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.81 -16.16 80.36 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.481 0.952 . . . . 0.0 115.481 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -114.15 -31.3 6.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.936 1.368 . . . . 0.0 113.245 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.3 m -124.48 -9.59 7.43 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -159.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.411 ' HA ' HD21 ' A' ' 16' ' ' LEU . . . -72.96 49.0 0.23 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.722 1.609 . . . . 0.0 114.359 -178.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.67 -68.92 0.17 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.153 2.181 . . . . 0.0 112.859 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -131.96 82.08 2.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.157 1.383 . . . . 0.0 109.388 171.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.09 145.02 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 113.59 -1.641 . . . . 0.0 110.319 -170.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 mm -125.58 -60.97 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 C-N-CA 124.975 1.31 . . . . 0.0 108.481 -169.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -135.93 152.28 50.83 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.685 1.194 . . . . 0.0 111.137 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 tt -151.72 128.73 11.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.666 1.586 . . . . 0.0 108.278 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.551 HH12 ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -138.55 88.76 2.32 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 125.685 1.594 . . . . 0.0 109.017 178.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -83.91 136.26 34.16 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.759 0.824 . . . . 0.0 109.307 166.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -151.83 118.55 5.75 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.152 1.381 . . . . 0.0 110.497 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -59.59 115.48 3.34 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.502 -0.749 . . . . 0.0 110.231 165.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.2 149.68 10.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 122.699 1.238 . . . . 0.0 110.1 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.6 tp . . . . . 0 C--O 1.25 1.095 0 C-N-CA 128.354 2.662 . . . . 0.0 111.222 179.291 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ttm . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 m -120.24 -10.39 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 125.161 1.385 . . . . 0.0 113.391 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 28.79 83.58 0.01 OUTLIER 'General case' 0 C--N 1.342 0.245 0 C-N-CA 128.113 2.565 . . . . 0.0 114.3 170.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -72.18 -64.23 0.98 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.537 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' B' ' 7' ' ' VAL . 24.9 t0 -152.79 81.54 1.22 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.9 0.88 . . . . 0.0 109.403 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.446 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 18.1 t80 58.12 -9.1 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.963 2.505 . . . . 0.0 114.833 -166.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.4 ' H ' ' C ' ' B' ' 5' ' ' ASP . 56.1 t -92.54 118.56 38.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 128.706 2.802 . . . . 0.0 109.368 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -142.79 -83.25 0.18 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.767 0.827 . . . . 0.0 110.382 162.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -145.64 179.33 7.5 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 127.887 2.475 . . . . 0.0 107.69 -173.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -36.35 122.54 0.75 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.066 1.746 . . . . 0.0 113.567 -169.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.02 125.38 29.31 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.517 1.127 . . . . 0.0 108.049 165.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.36 130.95 67.76 Favored 'Isoleucine or valine' 0 C--O 1.231 0.079 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 159.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 97.1 m -133.09 93.43 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.3 ttp -112.87 159.91 18.57 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.501 1.12 . . . . 0.0 111.002 -171.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -150.76 120.89 7.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.091 0.956 . . . . 0.0 110.823 -170.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -119.89 174.19 6.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.561 1.944 . . . . 0.0 110.691 -172.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -127.26 124.8 39.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 111.385 -176.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -87.29 176.92 7.31 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.461 1.504 . . . . 0.0 112.27 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -64.2 -23.37 67.29 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -90.21 -7.33 53.82 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.065 0.848 . . . . 0.0 111.573 173.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.42 19.38 79.47 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.19 0.9 . . . . 0.0 113.425 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -73.7 -30.81 63.08 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.349 1.075 . . . . 0.0 112.555 -173.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 77.39 138.91 0.07 Allowed 'General case' 0 C--O 1.233 0.198 0 C-N-CA 129.932 3.293 . . . . 0.0 111.986 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -134.18 147.34 50.74 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 122.361 1.077 . . . . 0.0 111.975 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -116.01 132.16 56.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.953 1.701 . . . . 0.0 110.401 -161.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -128.09 75.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 126.645 1.978 . . . . 0.0 109.008 -169.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -78.15 121.28 24.11 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.195 1.398 . . . . 0.0 110.331 167.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -145.73 93.28 2.33 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.663 1.985 . . . . 0.0 109.836 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' B' ' 6' ' ' PHE . 64.8 tttt -106.22 160.7 15.14 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.237 1.015 . . . . 0.0 111.018 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.81 36.58 18.71 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.993 -0.337 . . . . 0.0 112.656 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 pp -133.44 -165.57 1.64 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.335 1.454 . . . . 0.0 110.609 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 11.4 p -140.46 -177.67 5.15 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.092 -1.005 . . . . 0.0 113.063 173.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.4 mt -57.72 -36.25 71.77 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -166.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 20.0 p -69.41 -30.17 68.07 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.38 -0.825 . . . . 0.0 113.035 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -78.06 -31.8 50.47 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.608 1.163 . . . . 0.0 112.389 172.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -58.84 -47.02 86.32 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.513 -0.742 . . . . 0.0 110.955 165.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.04 -28.48 69.09 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.45 -51.74 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 119.08 0.855 . . . . 0.0 110.861 169.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.95 -49.77 76.36 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.407 0.683 . . . . 0.0 111.973 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -60.45 -45.47 93.58 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.131 1.373 . . . . 0.0 111.639 175.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.14 -26.57 72.5 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 118.463 -1.187 . . . . 0.0 114.835 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -96.06 -12.79 24.33 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.96 1.38 . . . . 0.0 113.89 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 81.1 p -119.47 -105.54 0.39 Allowed 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.28 0.491 . . . . 0.0 110.754 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 48.49 14.59 0.07 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.051 2.14 . . . . 0.0 114.903 -167.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.04 99.89 0.39 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.817 2.447 . . . . 0.0 112.419 -170.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 47.89 44.78 18.59 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.159 1.383 . . . . 0.0 111.332 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.6 tt -53.06 149.29 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 125.727 1.611 . . . . 0.0 114.457 -166.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.1 mm -124.02 -56.59 2.38 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 C-N-CA 127.08 2.152 . . . . 0.0 108.716 -170.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -135.55 156.31 49.09 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.588 0.631 . . . . 0.0 111.474 173.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.4 tp -150.03 105.87 3.43 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 126.049 1.74 . . . . 0.0 107.501 169.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -98.18 140.86 31.84 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.803 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 tt -139.47 143.49 37.56 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.83 0.852 . . . . 0.0 109.563 166.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -149.62 117.21 6.17 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.694 1.198 . . . . 0.0 109.451 -175.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -63.56 153.44 35.76 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 122.704 1.24 . . . . 0.0 112.123 175.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -120.59 157.63 23.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.725 -1.58 . . . . 0.0 107.408 172.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 tp . . . . . 0 C--O 1.251 1.14 0 C-N-CA 129.074 2.95 . . . . 0.0 114.313 -175.788 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tmm? . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 119.092 -0.48 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.14 101.42 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 CA-C-O 121.89 0.852 . . . . 0.0 109.042 174.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -94.04 85.15 4.64 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.361 1.464 . . . . 0.0 108.892 -173.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -137.71 -79.14 0.37 Allowed 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -122.15 56.36 1.1 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.969 0.89 . . . . 0.0 111.465 -161.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 46.02 55.55 6.98 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 114.46 -1.246 . . . . 0.0 111.38 -169.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.6 t -76.28 134.76 28.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.184 170.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -59.35 146.08 41.04 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 123.714 1.721 . . . . 0.0 115.211 -169.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.0 m 137.6 -170.51 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.24 2.616 . . . . 0.0 108.244 -143.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -92.0 147.47 22.93 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.242 1.02 . . . . 0.0 110.229 162.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -101.04 120.23 39.9 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 128.522 2.729 . . . . 0.0 107.731 166.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.7 t -124.94 101.8 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 124.343 1.057 . . . . 0.0 110.022 -174.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.0 m -102.19 94.35 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.01 1.324 . . . . 0.0 108.631 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.0 ttm -96.7 160.67 14.25 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.459 0.704 . . . . 0.0 110.423 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.64 119.32 8.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.094 0.958 . . . . 0.0 109.878 -176.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 44' ' ' ALA . 1.3 mm? -116.23 177.1 4.81 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.221 1.409 . . . . 0.0 110.513 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -131.35 136.22 47.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.047 0.939 . . . . 0.0 111.011 176.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -77.1 162.69 27.27 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 124.781 1.233 . . . . 0.0 111.503 173.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.43 -27.27 68.99 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.62 -7.44 54.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.474 1.109 . . . . 0.0 112.796 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.39 2.05 66.01 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.929 1.252 . . . . 0.0 114.072 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -70.9 118.95 14.33 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 118.451 1.126 . . . . 0.0 110.36 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -83.76 134.39 34.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.404 0.282 . . . . 0.0 110.682 173.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -139.9 144.74 37.32 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 122.275 1.036 . . . . 0.0 111.901 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -83.82 154.36 23.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.32 -1.309 . . . . 0.0 112.653 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -134.3 83.99 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 127.582 2.353 . . . . 0.0 107.956 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -74.2 130.01 38.93 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.629 1.171 . . . . 0.0 110.943 172.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -138.98 72.8 1.41 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 122.496 1.141 . . . . 0.0 110.728 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -81.83 57.42 3.43 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.872 2.069 . . . . 0.0 112.213 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.54 50.08 0.02 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 115.677 1.031 . . . . 0.0 115.677 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp -128.28 -176.73 3.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.527 0.731 . . . . 0.0 111.357 172.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.9 p -114.78 175.44 5.49 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.278 -0.889 . . . . 0.0 112.949 -173.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.8 mt -62.1 -33.05 73.73 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.7 m -67.61 -34.62 77.37 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 171.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -78.23 -30.77 48.96 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.719 0.807 . . . . 0.0 111.651 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -61.97 -42.71 99.44 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.584 0.754 . . . . 0.0 111.265 168.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.54 -30.61 71.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.148 0.885 . . . . 0.0 112.885 174.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -67.86 -49.98 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 121.712 -0.617 . . . . 0.0 110.731 168.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.6 -49.59 74.45 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.68 0.792 . . . . 0.0 111.594 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -69.58 -17.14 63.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.724 1.209 . . . . 0.0 113.511 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.78 -37.92 4.57 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.274 0.94 . . . . 0.0 113.935 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -102.57 -30.44 10.96 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.587 1.155 . . . . 0.0 113.197 -171.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.8 m -117.4 -10.59 10.68 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.663 0.785 . . . . 0.0 112.549 -163.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.477 ' HA ' HD11 ' A' ' 16' ' ' LEU . . . -70.42 37.42 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.593 1.957 . . . . 0.0 114.834 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.73 94.06 0.99 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.86 1.664 . . . . 0.0 111.92 -172.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 55.09 72.67 0.46 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 126.173 1.789 . . . . 0.0 111.906 -167.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.74 152.5 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 114.429 -1.26 . . . . 0.0 113.701 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mm -129.39 -58.33 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 126.894 2.077 . . . . 0.0 108.086 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -130.78 160.96 32.83 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.093 0.949 . . . . 0.0 112.738 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 tp -151.19 126.24 9.83 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.003 1.721 . . . . 0.0 109.456 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -117.73 135.26 54.15 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.683 1.593 . . . . 0.0 107.936 163.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 tt -138.53 135.19 34.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.66 0.784 . . . . 0.0 108.988 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -149.82 116.32 5.81 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 123.556 0.742 . . . . 0.0 109.394 -165.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -62.01 107.34 0.85 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.875 0.761 . . . . 0.0 110.287 167.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.41 146.9 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 124.95 1.3 . . . . 0.0 107.814 167.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.6 tp . . . . . 0 C--O 1.25 1.105 0 CA-C-O 115.205 -2.331 . . . . 0.0 113.345 -167.832 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 m 46.51 29.03 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 129.472 3.109 . . . . 0.0 116.903 176.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -102.1 74.9 1.47 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 172.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -142.58 7.6 1.71 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -166.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -114.4 -46.62 2.96 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.896 -0.502 . . . . 0.0 112.026 -164.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.41 5.16 25.12 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 124.462 1.105 . . . . 0.0 112.71 176.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 p -57.44 118.31 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 127.705 2.402 . . . . 0.0 113.775 -166.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -151.44 -69.71 0.17 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.261 1.025 . . . . 0.0 112.67 175.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -130.97 175.47 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 127.137 2.175 . . . . 0.0 110.824 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -43.1 133.34 3.88 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 125.635 1.574 . . . . 0.0 113.37 -164.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -101.32 104.99 16.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.697 1.599 . . . . 0.0 109.538 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.477 HG22 HD12 ' B' ' 52' ' ' LEU . 41.0 t -102.08 133.94 44.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 C-N-CA 123.774 0.83 . . . . 0.0 109.356 172.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 35.2 m -136.34 102.38 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.516 1.126 . . . . 0.0 108.08 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 56.7 ttp -120.94 159.96 24.48 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.072 0.949 . . . . 0.0 109.521 -174.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -149.33 156.2 41.7 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 122.968 1.366 . . . . 0.0 111.805 170.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -129.75 162.28 28.77 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 127.425 2.29 . . . . 0.0 109.276 -167.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -109.72 139.97 44.14 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.471 0.708 . . . . 0.0 109.93 168.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -157.34 -179.61 8.35 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.651 1.181 . . . . 0.0 110.592 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 32.0 t70 40.19 76.14 0.07 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.336 1.855 . . . . 0.0 113.751 162.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 t0 74.32 3.69 4.38 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.424 2.289 . . . . 0.0 114.087 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.53 10.32 31.43 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.85 0.738 . . . . 0.0 113.551 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -73.14 142.42 47.46 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.26 1.03 . . . . 0.0 110.111 172.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -90.09 142.3 27.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.086 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -129.63 153.52 48.02 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.679 0.752 . . . . 0.0 110.912 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -118.94 142.46 47.75 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.746 1.218 . . . . 0.0 111.475 -158.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -137.8 77.46 1.63 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.698 1.999 . . . . 0.0 109.306 -168.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -82.98 122.15 27.93 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.808 1.643 . . . . 0.0 110.316 170.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -148.09 88.06 1.64 Allowed 'General case' 0 C--O 1.231 0.105 0 C-N-CA 125.914 1.686 . . . . 0.0 110.353 -173.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.2 169.52 10.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.004 172.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.2 34.93 57.57 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.41 0.529 . . . . 0.0 113.403 172.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -131.22 -164.08 1.4 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.553 1.141 . . . . 0.0 110.146 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 19.1 p -140.3 -179.73 6.17 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.036 -1.04 . . . . 0.0 112.86 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.48 -36.14 75.45 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -173.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 66.5 m -69.7 -21.97 63.45 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 174.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -86.34 -34.38 20.29 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.659 1.183 . . . . 0.0 111.065 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -62.14 -41.84 98.67 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.538 -0.726 . . . . 0.0 112.062 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -53.24 -40.74 64.78 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.752 1.221 . . . . 0.0 111.814 172.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.57 -50.36 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 123.303 0.641 . . . . 0.0 111.636 172.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.66 -50.18 72.86 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.566 0.746 . . . . 0.0 111.818 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -59.88 -62.91 1.52 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.038 0.935 . . . . 0.0 110.566 172.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.5 -24.09 61.29 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.42 0.928 . . . . 0.0 115.42 -171.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -89.19 -16.78 30.51 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.831 1.315 . . . . 0.0 113.21 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -128.83 -21.54 3.36 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -160.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.56 25.57 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 -165.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.2 -37.79 75.48 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.221 1.409 . . . . 0.0 114.337 -172.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -144.47 49.8 1.31 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 122.945 1.355 . . . . 0.0 109.798 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.69 138.29 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.208 -171.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 42.7 mm -118.42 -51.86 4.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 125.015 1.326 . . . . 0.0 110.611 -170.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -136.94 147.96 46.68 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 123.966 0.907 . . . . 0.0 111.912 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.1 tt -152.26 134.72 15.26 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.997 1.319 . . . . 0.0 109.963 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.08 133.09 46.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 127.149 2.18 . . . . 0.0 109.073 174.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.477 HD12 HG22 ' B' ' 12' ' ' VAL . 4.6 tt -143.95 142.86 30.97 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.217 1.407 . . . . 0.0 110.092 168.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 41.7 p30 -142.32 160.4 40.33 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.517 0.675 . . . . 0.0 112.492 149.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.25 122.9 19.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.958 -1.019 . . . . 0.0 108.477 153.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -75.59 144.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.794 -170.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.25 1.105 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -167.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.6 tpp . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.1 m -68.97 -21.43 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -71.31 83.53 0.77 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.679 1.592 . . . . 0.0 110.553 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -90.05 -54.97 3.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.229 1.012 . . . . 0.0 111.194 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.34 -83.96 0.65 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.109 1.764 . . . . 0.0 110.205 -176.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -130.3 28.51 4.97 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.454 1.901 . . . . 0.0 111.736 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.8 t -67.23 80.5 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.589 1.956 . . . . 0.0 112.933 -162.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -154.28 -66.22 0.14 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.284 1.434 . . . . 0.0 111.665 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.2 t -163.66 -178.95 6.08 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.423 1.889 . . . . 0.0 109.747 -174.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -43.05 132.5 4.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.516 1.526 . . . . 0.0 112.849 -168.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -100.73 115.87 31.29 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.227 2.611 . . . . 0.0 108.932 171.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.24 98.12 6.55 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.086 0 C-N-CA 125.082 1.353 . . . . 0.0 109.279 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.2 m -91.42 99.42 12.38 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 170.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.8 ttp -103.04 162.42 12.95 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.181 0.592 . . . . 0.0 110.753 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.11 118.83 6.57 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.633 0.773 . . . . 0.0 111.088 -169.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -117.79 174.66 6.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.644 1.578 . . . . 0.0 110.587 -176.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -122.32 129.73 52.45 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.246 1.018 . . . . 0.0 110.826 172.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.35 161.02 30.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.424 1.489 . . . . 0.0 111.755 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -62.09 -21.47 65.0 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -76.38 -14.54 60.07 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 121.252 -0.905 . . . . 0.0 113.013 170.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.58 5.62 53.79 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 127.103 2.287 . . . . 0.0 114.062 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -81.38 125.82 30.87 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.532 1.533 . . . . 0.0 110.123 -177.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -80.24 137.51 36.65 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.278 -0.264 . . . . 0.0 110.641 172.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.77 144.67 35.61 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 121.72 0.771 . . . . 0.0 112.154 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -83.79 151.94 24.91 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.495 1.118 . . . . 0.0 112.324 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -133.55 86.21 2.27 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.291 2.636 . . . . 0.0 107.869 171.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -77.25 118.46 19.77 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.101 1.36 . . . . 0.0 110.399 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -136.49 98.04 3.72 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.937 1.295 . . . . 0.0 110.401 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 166.01 15.39 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.776 1.23 . . . . 0.0 113.042 -171.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.45 42.26 95.93 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.583 0.611 . . . . 0.0 111.848 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 pp -138.85 -164.49 1.66 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.149 0.979 . . . . 0.0 110.59 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 p -138.38 179.13 6.64 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.504 -1.373 . . . . 0.0 113.462 -174.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.32 -37.99 82.33 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.34 -0.85 . . . . 0.0 112.954 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.6 m -67.63 -25.72 65.88 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.553 -0.717 . . . . 0.0 112.923 174.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -84.07 -33.81 24.34 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.703 1.201 . . . . 0.0 110.92 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -59.28 -42.53 91.46 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.224 -0.923 . . . . 0.0 111.403 166.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -59.79 -27.69 66.79 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.97 -50.6 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.257 0.623 . . . . 0.0 110.49 169.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.5 tp -55.31 -49.98 70.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.328 0.651 . . . . 0.0 111.361 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -62.11 -34.85 77.1 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.433 1.093 . . . . 0.0 112.6 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.89 -23.84 58.97 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 119.237 -0.757 . . . . 0.0 114.834 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -111.95 -27.23 8.52 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.588 1.194 . . . . 0.0 113.709 -171.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 m -129.4 -6.85 4.74 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.641 0.776 . . . . 0.0 112.69 -160.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.59 25.18 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -71.07 107.01 3.92 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.777 2.031 . . . . 0.0 111.724 -174.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 57.93 58.62 3.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.837 1.655 . . . . 0.0 112.129 -171.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 tp -58.65 128.31 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 127.777 2.431 . . . . 0.0 113.155 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.5 mm -119.65 -60.51 2.55 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 C-N-CA 128.372 2.669 . . . . 0.0 107.449 -177.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -133.11 159.06 41.21 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.247 1.022 . . . . 0.0 112.325 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 tt -152.28 126.6 9.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.331 1.453 . . . . 0.0 108.118 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.13 89.46 2.92 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 125.828 1.651 . . . . 0.0 108.867 174.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.9 tt -89.17 136.1 33.2 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 169.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -148.91 113.37 5.3 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.329 1.452 . . . . 0.0 110.377 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -54.79 121.62 8.96 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.285 1.034 . . . . 0.0 110.538 168.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.86 153.61 6.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 167.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.4 tp . . . . . 0 C--O 1.247 0.973 0 C-N-CA 128.463 2.705 . . . . 0.0 112.308 179.855 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.549 ' HA ' ' OD2' ' B' ' 5' ' ' ASP . 36.1 mtt . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.076 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.9 t -145.32 -57.56 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 O-C-N 124.911 1.382 . . . . 0.0 109.955 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -141.47 144.12 34.21 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.182 1.393 . . . . 0.0 110.357 -173.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 30.7 t30 61.84 -20.07 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.797 2.439 . . . . 0.0 115.546 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . 0.549 ' OD2' ' HA ' ' B' ' 1' ' ' MET . 8.9 p30 -87.43 -37.91 16.6 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.014 1.726 . . . . 0.0 111.873 163.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -61.19 90.81 0.02 OUTLIER 'General case' 0 C--O 1.234 0.256 0 C-N-CA 124.588 1.155 . . . . 0.0 108.308 137.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -108.03 150.32 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.413 1.085 . . . . 0.0 112.424 -164.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t70 64.36 -77.11 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.196 2.199 . . . . 0.0 115.184 166.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.5 m -135.84 -176.36 4.27 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.527 1.931 . . . . 0.0 111.46 -165.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -47.74 123.12 5.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.343 1.457 . . . . 0.0 111.662 -174.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -81.0 134.22 35.64 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 163.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.13 134.63 62.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 C-N-CA 123.894 0.877 . . . . 0.0 108.768 167.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 51.2 m -133.38 95.77 3.58 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.522 1.929 . . . . 0.0 106.856 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 49.8 ttp -110.6 157.74 19.34 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.875 0.87 . . . . 0.0 109.853 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 pp -148.76 146.99 28.3 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 122.593 1.187 . . . . 0.0 112.134 171.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -119.03 175.88 5.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.633 1.973 . . . . 0.0 109.087 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -119.86 146.89 45.33 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.817 0.847 . . . . 0.0 112.754 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -143.97 175.23 10.18 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.764 1.625 . . . . 0.0 110.722 175.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 27.9 t70 30.9 72.19 0.07 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 128.471 2.708 . . . . 0.0 115.26 159.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 t70 77.83 -3.52 2.37 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.965 2.506 . . . . 0.0 114.162 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.75 6.22 3.74 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.729 1.157 . . . . 0.0 114.267 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -69.42 106.99 3.15 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.305 1.053 . . . . 0.0 109.813 174.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.59 142.36 35.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.53 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -134.34 145.63 49.19 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.969 0.907 . . . . 0.0 110.973 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -104.31 154.22 20.07 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 122.52 1.152 . . . . 0.0 113.385 -162.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -135.94 76.44 1.61 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 128.986 2.915 . . . . 0.0 108.055 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.84 124.65 27.25 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.253 1.421 . . . . 0.0 109.619 168.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -142.7 86.55 1.95 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.765 1.626 . . . . 0.0 109.378 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -83.3 153.53 24.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.168 1.387 . . . . 0.0 111.736 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.53 53.58 44.86 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.562 1.077 . . . . 0.0 113.853 169.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pp -133.09 -170.69 2.51 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.087 0.955 . . . . 0.0 110.751 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 13.1 p -127.75 176.21 7.72 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 120.887 -1.133 . . . . 0.0 113.113 -175.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.25 -33.66 76.33 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 120.745 -1.222 . . . . 0.0 112.665 -172.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.3 m -66.59 -27.6 67.85 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -81.8 -35.04 29.95 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.808 1.243 . . . . 0.0 110.988 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.04 -42.43 98.45 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.448 -0.783 . . . . 0.0 111.69 169.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.62 -37.79 68.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.61 0.764 . . . . 0.0 113.009 173.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.4 t -65.19 -50.1 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.011 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.67 -55.02 40.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.143 0.977 . . . . 0.0 111.673 178.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -62.1 -29.7 70.5 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.143 0.977 . . . . 0.0 112.778 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.72 -17.26 68.49 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-O 118.438 -1.201 . . . . 0.0 115.364 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -120.91 -23.35 5.92 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.455 1.627 . . . . 0.0 114.608 -173.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.7 m -127.83 -10.04 5.5 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -162.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.59 47.29 0.17 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.033 1.733 . . . . 0.0 113.111 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.85 -67.6 0.42 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.242 1.817 . . . . 0.0 113.445 -166.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -120.04 70.61 0.88 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.696 1.199 . . . . 0.0 107.97 171.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.55 125.84 39.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 124.827 1.251 . . . . 0.0 112.694 -163.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 47.9 mm -109.35 -66.01 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 127.206 2.202 . . . . 0.0 107.549 -176.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -129.7 146.88 51.44 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.205 0.911 . . . . 0.0 111.315 -173.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 tt -149.83 110.94 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.111 1.364 . . . . 0.0 108.67 -174.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.28 121.85 45.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.497 1.519 . . . . 0.0 108.997 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tt -120.69 139.32 53.21 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.382 1.073 . . . . 0.0 108.531 168.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -149.61 112.35 4.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.57 1.148 . . . . 0.0 109.7 -173.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -53.86 137.11 39.39 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.018 0.927 . . . . 0.0 113.2 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 18.9 t -116.87 157.86 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 149.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.8 tp . . . . . 0 C--O 1.25 1.119 0 C-N-CA 126.321 1.848 . . . . 0.0 110.503 -174.86 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ttt . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.9 t -63.8 -42.7 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 120.411 1.46 . . . . 0.0 110.59 -175.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.74 35.99 0.07 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.576 2.35 . . . . 0.0 114.453 174.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -133.62 -72.78 0.49 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.488 1.515 . . . . 0.0 109.82 169.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -141.74 41.27 1.7 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.893 1.277 . . . . 0.0 109.521 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.413 ' CD1' ' HD3' ' A' ' 29' ' ' LYS . 6.8 m-85 60.66 15.64 5.94 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.087 2.155 . . . . 0.0 114.444 -174.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.68 89.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 127.167 2.187 . . . . 0.0 112.492 -167.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -155.25 -71.37 0.12 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.712 1.605 . . . . 0.0 109.642 162.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -159.17 -174.1 4.55 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.986 2.114 . . . . 0.0 108.958 -176.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -39.79 129.24 2.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.162 1.785 . . . . 0.0 114.646 -163.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 12.6 t0 -92.2 113.08 25.26 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 126.088 1.755 . . . . 0.0 107.901 171.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.465 HG11 HD23 ' A' ' 39' ' ' LEU . 43.8 t -97.57 135.48 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 122.156 0.979 . . . . 0.0 109.016 160.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.7 m -134.47 94.91 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp -113.46 164.36 13.72 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.045 0.938 . . . . 0.0 110.51 -172.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.64 123.68 6.91 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.123 0.569 . . . . 0.0 110.61 -169.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -122.72 173.07 7.97 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.486 1.514 . . . . 0.0 111.391 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -125.44 133.58 52.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.259 1.023 . . . . 0.0 110.269 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -78.61 164.68 24.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.508 1.523 . . . . 0.0 112.055 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.03 -32.26 66.0 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.9 1.68 . . . . 0.0 112.602 172.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -72.99 -1.49 17.29 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.177 0.991 . . . . 0.0 112.522 173.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.16 2.18 90.49 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 125.41 1.481 . . . . 0.0 113.687 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.32 126.63 31.39 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 125.225 1.41 . . . . 0.0 110.71 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -87.06 137.22 32.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.585 0.354 . . . . 0.0 110.49 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -135.86 144.61 45.72 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.848 0.832 . . . . 0.0 111.202 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -85.32 153.76 22.35 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.921 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -134.71 75.5 1.58 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 128.097 2.559 . . . . 0.0 107.957 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -74.45 120.79 20.5 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.087 1.355 . . . . 0.0 110.035 169.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -144.11 98.32 3.2 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.899 0.879 . . . . 0.0 109.941 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HD3' ' CD1' ' A' ' 6' ' ' PHE . 17.2 mttm -118.17 163.45 16.64 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.929 0.892 . . . . 0.0 111.538 -169.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.93 36.53 73.58 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 116.383 -0.371 . . . . 0.0 112.194 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pp -130.82 -157.11 0.8 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.09 0.956 . . . . 0.0 110.622 -175.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.5 p -142.67 179.27 7.08 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 120.884 -1.135 . . . . 0.0 113.086 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.46 -34.91 78.79 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.314 -0.866 . . . . 0.0 112.695 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.9 m -66.42 -28.4 68.59 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.758 0.423 . . . . 0.0 111.753 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -80.09 -33.96 38.38 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.406 1.082 . . . . 0.0 111.546 175.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -62.5 -42.36 99.45 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.34 -0.85 . . . . 0.0 111.768 168.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.5 -35.51 70.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.003 0.921 . . . . 0.0 112.288 173.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.52 -52.83 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.193 0.597 . . . . 0.0 110.147 171.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.465 HD23 HG11 ' A' ' 12' ' ' VAL . 65.8 tp -55.87 -51.61 66.95 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.627 0.649 . . . . 0.0 112.084 -178.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.52 -47.89 83.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.396 1.079 . . . . 0.0 111.251 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.92 -27.71 70.05 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.732 0.682 . . . . 0.0 114.641 -176.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -79.98 -39.53 29.9 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.753 1.277 . . . . 0.0 111.002 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.6 m -69.25 -47.32 65.01 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.974 0.509 . . . . 0.0 110.542 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.95 27.31 5.42 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.909 2.484 . . . . 0.0 115.754 168.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -125.71 165.08 19.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.015 0.926 . . . . 0.0 111.299 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -66.13 103.02 0.89 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.279 1.432 . . . . 0.0 111.202 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.73 145.17 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 125.427 1.491 . . . . 0.0 112.604 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.3 mm -98.63 -57.54 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 126.117 1.767 . . . . 0.0 108.522 168.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -136.75 151.1 48.83 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.346 1.058 . . . . 0.0 110.871 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 tp -150.44 116.6 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.993 1.717 . . . . 0.0 107.936 178.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -115.56 141.82 47.56 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 123.903 0.881 . . . . 0.0 108.99 165.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.46 HD12 HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -139.32 140.02 37.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 124.085 0.866 . . . . 0.0 109.644 161.413 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.94 151.86 36.55 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.324 0.583 . . . . 0.0 112.249 165.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -65.95 155.09 37.56 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.025 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 t -135.48 15.29 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-O 122.986 1.374 . . . . 0.0 114.037 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.2 tp . . . . . 0 C--O 1.243 0.749 0 C-N-CA 129.142 2.977 . . . . 0.0 110.268 173.671 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.4 ' HA ' ' OD1' ' B' ' 8' ' ' ASP . 1.9 mpt? . . . . . 0 CA--C 1.507 -0.688 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -147.67 146.23 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 124.348 1.059 . . . . 0.0 109.109 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -84.01 76.56 10.04 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 121.8 -0.562 . . . . 0.0 110.985 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -72.99 -50.7 21.65 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.868 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -148.12 92.8 2.08 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 171.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 60.53 -48.16 0.1 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.884 2.073 . . . . 0.0 112.911 -144.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.01 176.21 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 126.163 1.785 . . . . 0.0 110.776 -155.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.4 ' OD1' ' HA ' ' B' ' 1' ' ' MET . 10.6 p-10 -107.05 154.44 21.13 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.737 0.815 . . . . 0.0 110.716 162.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.49 168.57 0.08 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.89 1.276 . . . . 0.0 112.809 -157.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -56.02 152.59 10.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.68 1.229 . . . . 0.0 113.349 -168.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.69 123.39 43.69 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 126.356 1.862 . . . . 0.0 109.009 -178.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.437 HG11 HD23 ' B' ' 39' ' ' LEU . 84.9 t -122.74 143.51 35.36 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 125.527 1.531 . . . . 0.0 110.704 -177.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 81.8 m -138.0 101.02 4.32 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 125.266 1.426 . . . . 0.0 107.803 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 26.2 ttp -109.05 157.74 18.41 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.353 0.661 . . . . 0.0 110.6 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -148.21 116.13 6.41 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.74 0.816 . . . . 0.0 110.024 -173.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -117.26 170.81 8.4 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.363 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -121.15 127.44 51.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.174 1.39 . . . . 0.0 110.167 171.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -77.54 166.79 22.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.337 1.055 . . . . 0.0 111.506 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -65.75 -19.27 65.83 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -83.26 -0.78 51.11 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.884 0.874 . . . . 0.0 113.037 170.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.21 0.2 74.26 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.945 1.736 . . . . 0.0 114.083 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -83.81 130.21 34.93 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.68 1.74 . . . . 0.0 110.955 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -84.71 139.4 32.03 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.512 0.725 . . . . 0.0 111.064 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -141.51 145.65 35.44 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.804 0.811 . . . . 0.0 111.817 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -86.67 152.22 22.75 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 124.427 1.091 . . . . 0.0 112.323 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -134.15 77.06 1.68 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 128.455 2.702 . . . . 0.0 107.979 172.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -70.39 128.5 36.4 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.668 0.787 . . . . 0.0 109.716 166.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -142.38 89.39 2.15 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 124.504 1.121 . . . . 0.0 109.821 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -91.33 135.17 34.0 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.952 1.301 . . . . 0.0 110.525 176.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.55 51.91 3.33 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 124.426 1.012 . . . . 0.0 112.519 169.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.65 -163.65 1.45 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.426 1.09 . . . . 0.0 110.796 176.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 33.0 p -132.12 174.85 9.77 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 120.474 -1.391 . . . . 0.0 112.398 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 19.6 mt -59.93 -37.07 78.43 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.416 -0.803 . . . . 0.0 112.388 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 33.0 m -63.56 -25.26 68.16 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 173.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -87.51 -32.42 19.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.896 1.278 . . . . 0.0 111.481 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.81 -41.75 96.32 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.569 -0.707 . . . . 0.0 111.513 167.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -58.53 -33.72 70.18 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.777 0.831 . . . . 0.0 112.435 173.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -70.42 -51.94 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.503 170.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.437 HD23 HG11 ' B' ' 12' ' ' VAL . 50.6 tp -52.4 -56.73 13.04 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.34 1.056 . . . . 0.0 111.917 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -64.1 -39.75 94.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.5 1.12 . . . . 0.0 112.195 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.47 -25.54 60.87 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.423 -0.654 . . . . 0.0 114.703 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -100.74 -27.28 13.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.399 1.099 . . . . 0.0 113.668 -171.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 63.0 m -71.15 -33.47 70.08 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -169.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 57.65 -1.2 0.08 Allowed 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 117.407 2.373 . . . . 0.0 117.407 169.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -76.6 160.2 29.63 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.57 1.077 . . . . 0.0 111.575 170.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.35 116.23 4.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.74 1.216 . . . . 0.0 111.042 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.96 124.19 39.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 124.908 1.283 . . . . 0.0 112.83 -173.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 25.6 mm -112.19 -51.37 5.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.179 0 C-N-CA 127.992 2.517 . . . . 0.0 108.752 -170.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -140.69 154.79 46.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.254 1.021 . . . . 0.0 111.293 172.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -147.1 156.15 42.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 122.317 1.056 . . . . 0.0 112.255 153.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -136.19 139.35 42.76 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.05 2.14 . . . . 0.0 108.521 170.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.7 tt -137.97 135.65 36.2 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 126.209 1.804 . . . . 0.0 108.579 166.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -134.0 135.16 43.24 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 125.029 1.332 . . . . 0.0 109.144 175.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 149.61 50.15 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.137 157.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 29.3 m -99.42 127.08 52.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.453 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 C--O 1.247 0.973 0 C-N-CA 128.271 2.628 . . . . 0.0 113.91 -174.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 119.891 -0.099 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.3 m -55.33 -34.12 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 116.452 2.019 . . . . 0.0 116.452 -161.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -127.2 40.49 3.7 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.324 1.05 . . . . 0.0 112.427 -178.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -141.25 -32.64 0.54 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.746 -174.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -112.88 13.74 19.68 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.971 0.805 . . . . 0.0 112.247 -163.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 55.03 34.33 22.25 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.702 1.601 . . . . 0.0 111.557 -170.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -71.52 95.76 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -153.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -140.73 -57.94 0.52 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.552 0.692 . . . . 0.0 110.092 150.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.1 p -146.69 169.16 19.61 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.453 1.901 . . . . 0.0 110.136 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CZ ' HD21 ' A' ' 33' ' ' LEU . 37.1 m-85 -44.66 140.71 2.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.197 2.199 . . . . 0.0 114.143 -155.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -104.75 116.48 32.09 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 125.631 1.573 . . . . 0.0 109.516 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.23 88.39 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.377 1.471 . . . . 0.0 110.615 -172.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.4 m -82.17 127.71 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.023 0.929 . . . . 0.0 108.66 176.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.4 ttm -137.3 145.12 43.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 118.593 0.633 . . . . 0.0 111.126 -174.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.3 141.79 43.85 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 122.865 1.317 . . . . 0.0 111.644 170.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 47' ' ' ILE . 17.9 mt -135.84 171.15 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.541 1.937 . . . . 0.0 108.935 -167.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -121.33 129.68 53.22 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.85 0.833 . . . . 0.0 111.788 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -74.97 160.5 30.49 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.088 1.355 . . . . 0.0 111.479 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -63.17 -21.88 66.5 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 175.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -82.99 1.43 39.9 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.455 0.702 . . . . 0.0 112.57 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.97 0.96 73.7 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.803 1.668 . . . . 0.0 114.216 175.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -78.71 131.32 36.56 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 118.102 0.951 . . . . 0.0 110.192 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -92.5 116.01 28.61 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.699 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -113.38 142.66 45.62 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.874 0.845 . . . . 0.0 110.4 -175.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -126.82 134.16 50.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.988 1.715 . . . . 0.0 109.358 -160.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -150.82 148.59 28.67 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.968 0.89 . . . . 0.0 112.377 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.83 138.86 32.88 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.923 1.289 . . . . 0.0 110.699 176.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -138.21 84.75 2.05 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.566 0.747 . . . . 0.0 109.303 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 169.92 8.31 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.699 0.8 . . . . 0.0 112.912 -178.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.02 43.87 96.72 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 123.459 0.552 . . . . 0.0 111.77 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 pp -136.91 -175.41 4.02 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.905 1.282 . . . . 0.0 110.44 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 p -133.93 -178.25 4.93 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 121.114 -0.991 . . . . 0.0 112.254 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.447 HD21 ' CZ ' ' A' ' 10' ' ' TYR . 2.9 mm? -68.18 -28.84 67.63 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -164.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.2 p -68.29 -27.06 65.98 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -79.36 -33.13 43.22 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.315 1.046 . . . . 0.0 111.697 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -63.7 -41.07 98.17 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.779 -0.576 . . . . 0.0 111.531 169.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.19 -28.98 68.41 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.631 0.773 . . . . 0.0 113.013 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.8 t -69.13 -50.93 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 118.711 0.687 . . . . 0.0 110.317 170.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.2 tp -55.89 -52.37 64.3 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.091 0.86 . . . . 0.0 111.265 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -63.25 -33.66 75.97 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.703 1.201 . . . . 0.0 113.195 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.39 -19.6 48.69 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.463 1.029 . . . . 0.0 115.244 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -118.28 -26.21 6.37 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.543 1.172 . . . . 0.0 113.523 -170.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 m -123.0 -14.82 7.51 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.863 0.465 . . . . 0.0 112.149 -162.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.41 31.05 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.689 2.395 . . . . 0.0 115.949 -175.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.02 100.36 1.22 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.735 2.414 . . . . 0.0 111.171 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 53.55 76.59 0.21 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.616 1.966 . . . . 0.0 112.56 -159.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.52 ' HA ' HD23 ' A' ' 16' ' ' LEU . 9.6 tp -65.61 131.59 31.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 125.864 1.666 . . . . 0.0 112.478 166.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.0 mm -124.79 -55.91 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 126.93 2.092 . . . . 0.0 107.542 -176.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.482 ' HE2' ' OD1' ' B' ' 53' ' ' ASP . 20.6 ttmt -143.93 147.06 33.43 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 118.979 0.809 . . . . 0.0 111.504 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.29 148.33 36.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.168 163.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 102.98 5.21 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 126.109 1.764 . . . . 0.0 108.68 -177.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.6 tt -110.15 132.18 54.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.476 1.91 . . . . 0.0 109.102 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.86 144.0 48.66 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 123.863 0.865 . . . . 0.0 109.372 165.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 148.56 51.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.294 -0.962 . . . . 0.0 110.145 153.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.9 m -113.04 130.07 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.209 0.528 . . . . 0.0 111.131 -167.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 C--O 1.251 1.164 0 C-N-CA 125.588 1.555 . . . . 0.0 111.564 -177.506 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.51 -0.583 0 CA-C-O 120.787 0.327 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.5 m -68.68 153.25 9.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-O 122.634 1.207 . . . . 0.0 111.86 -169.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -107.3 84.56 1.99 Allowed 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 113.085 -1.871 . . . . 0.0 107.202 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -89.31 -10.85 45.24 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.6 -1.182 . . . . 0.0 113.368 -168.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -94.56 -45.88 7.21 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.081 1.753 . . . . 0.0 111.222 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -99.17 68.78 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.271 1.428 . . . . 0.0 108.704 167.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -86.76 159.63 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.662 -169.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t0 73.64 -77.21 0.06 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 127.81 2.444 . . . . 0.0 114.441 165.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.94 174.66 10.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.879 0.872 . . . . 0.0 112.641 -172.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.587 ' CZ ' HD21 ' B' ' 33' ' ' LEU . 42.8 m-85 -46.14 145.5 1.59 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.026 2.13 . . . . 0.0 111.877 -163.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -81.93 149.79 28.04 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 121.822 -0.549 . . . . 0.0 110.56 154.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.1 t -135.55 87.83 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 125.765 1.626 . . . . 0.0 107.392 161.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 61.4 m -65.52 118.64 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 165.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 54.3 ttm -134.17 144.94 48.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 119.085 0.857 . . . . 0.0 110.556 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.36 130.25 30.38 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.115 173.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -119.72 165.45 14.51 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.272 1.429 . . . . 0.0 109.979 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -111.48 119.91 40.37 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.595 1.158 . . . . 0.0 110.303 169.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.451 ' HA ' ' OD1' ' B' ' 45' ' ' ASP . 7.9 p-10 -75.34 172.83 11.77 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.834 2.053 . . . . 0.0 112.658 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -60.76 -28.69 68.91 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.302 1.441 . . . . 0.0 113.805 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -90.82 -5.37 55.7 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.581 -0.699 . . . . 0.0 112.707 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.23 16.48 69.21 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 118.863 -0.965 . . . . 0.0 114.654 171.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -70.72 -33.21 70.62 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.773 1.286 . . . . 0.0 112.709 -172.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 67.77 133.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 128.188 2.595 . . . . 0.0 112.314 -170.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -138.62 152.91 48.53 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.424 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -137.0 137.98 40.01 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 126.547 1.939 . . . . 0.0 109.934 -164.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -154.58 145.53 22.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.406 0.622 . . . . 0.0 111.778 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -83.95 103.59 13.32 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.521 1.128 . . . . 0.0 109.913 166.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -94.66 82.3 3.93 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -113.23 167.89 10.18 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.241 1.016 . . . . 0.0 113.392 -168.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.43 35.95 69.01 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.895 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 pp -143.07 -173.51 3.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.809 1.243 . . . . 0.0 110.561 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -132.28 -175.58 3.79 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.26 -0.9 . . . . 0.0 113.147 -169.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.587 HD21 ' CZ ' ' B' ' 10' ' ' TYR . 3.8 mm? -74.28 -26.54 60.26 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 121.002 -1.061 . . . . 0.0 113.4 -166.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 37.7 p -74.12 -24.52 59.46 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.309 1.044 . . . . 0.0 112.541 167.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -81.0 -35.04 32.48 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.124 0.97 . . . . 0.0 111.07 174.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -58.33 -43.38 88.19 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.938 0.895 . . . . 0.0 111.667 164.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -56.92 -36.2 69.92 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.293 1.037 . . . . 0.0 112.423 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -68.22 -51.62 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 123.394 0.678 . . . . 0.0 110.731 171.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.52 -52.34 64.01 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.949 0.795 . . . . 0.0 112.382 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -67.73 -23.21 65.23 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.636 1.175 . . . . 0.0 113.192 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.37 -34.84 6.85 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.786 0.708 . . . . 0.0 114.379 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -96.86 -26.1 15.21 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -167.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 61.1 m -72.42 -33.9 67.44 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -167.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 59.5 -11.49 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.334 2.654 . . . . 0.0 117.665 172.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.451 ' OD1' ' HA ' ' B' ' 18' ' ' ASP . 23.0 m-20 -68.65 155.94 39.11 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.522 1.056 . . . . 0.0 111.143 166.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -72.66 127.23 31.92 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.945 0.498 . . . . 0.0 111.398 -168.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 tp -71.51 122.77 24.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 C-N-CA 124.692 1.197 . . . . 0.0 112.813 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 48.1 mm -114.75 -48.4 4.93 Favored 'Isoleucine or valine' 0 C--N 1.338 0.097 0 C-N-CA 127.204 2.202 . . . . 0.0 108.949 -176.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -146.6 145.37 30.06 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 123.564 0.746 . . . . 0.0 112.355 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 tp -150.16 122.39 8.36 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.682 1.593 . . . . 0.0 109.431 177.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -128.45 93.92 3.76 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 125.227 1.411 . . . . 0.0 109.591 173.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.7 tt -86.0 136.28 33.32 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.407 1.083 . . . . 0.0 109.691 171.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.482 ' OD1' ' HE2' ' A' ' 49' ' ' LYS . 30.1 t70 -152.28 111.73 3.92 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.795 0.838 . . . . 0.0 111.281 -172.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.504 ' HB2' ' CE2' ' B' ' 10' ' ' TYR . 28.2 tptp -60.05 104.15 0.28 Allowed 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 122.999 1.38 . . . . 0.0 110.281 163.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.5 m -57.84 165.57 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 112.069 -2.332 . . . . 0.0 111.424 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.248 1.016 0 C-N-CA 125.768 1.627 . . . . 0.0 112.855 179.542 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpt . . . . . 0 N--CA 1.47 0.525 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -63.25 162.06 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 123.28 1.514 . . . . 0.0 111.503 173.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.07 111.06 2.73 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 127.029 2.132 . . . . 0.0 108.231 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -146.28 -52.76 0.24 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.121 -1.399 . . . . 0.0 110.793 -171.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -146.51 23.31 1.28 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.15 0.58 . . . . 0.0 112.058 -175.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 56.62 43.66 25.18 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.022 1.729 . . . . 0.0 112.843 -166.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.2 t -65.56 98.37 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 124.558 1.143 . . . . 0.0 112.831 -169.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.505 ' H ' HG21 ' A' ' 55' ' ' VAL . 9.5 t0 -155.76 -73.89 0.11 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.25 2.22 . . . . 0.0 108.097 163.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 p -148.0 171.47 15.76 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.503 2.321 . . . . 0.0 108.861 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -48.35 154.66 0.59 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.76 1.624 . . . . 0.0 115.002 -158.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.78 108.04 12.58 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.614 1.966 . . . . 0.0 110.011 -171.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.57 HG22 HD13 ' A' ' 52' ' ' LEU . 24.9 t -101.28 140.23 20.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 124.6 1.16 . . . . 0.0 109.702 174.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.7 m -136.91 99.56 4.06 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.512 1.125 . . . . 0.0 108.195 166.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.5 mtm -98.66 166.93 11.1 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.347 168.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -151.58 151.51 31.64 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 122.467 1.127 . . . . 0.0 111.185 166.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -128.68 178.58 6.23 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 127.569 2.347 . . . . 0.0 108.955 -175.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -127.37 142.33 51.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.662 0.785 . . . . 0.0 110.508 173.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -139.32 -178.58 5.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.514 1.526 . . . . 0.0 110.392 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.1 t0 28.93 76.42 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 128.019 2.528 . . . . 0.0 114.322 156.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 t70 72.76 0.5 3.67 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.78 2.032 . . . . 0.0 114.297 171.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.13 4.68 5.44 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 125.11 1.338 . . . . 0.0 113.586 -177.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -60.14 107.29 0.62 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.821 1.648 . . . . 0.0 110.104 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -70.35 138.16 51.18 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 168.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -139.71 151.19 45.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.69 0.757 . . . . 0.0 111.278 171.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -103.06 152.36 21.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.988 -172.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -133.46 77.55 1.73 Allowed 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.569 1.948 . . . . 0.0 107.765 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -98.98 129.14 45.26 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.539 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -148.57 99.67 3.03 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 126.062 1.745 . . . . 0.0 108.608 -167.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.9 171.32 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.443 0.697 . . . . 0.0 111.897 174.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.56 40.16 54.58 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 123.583 0.611 . . . . 0.0 112.123 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.434 HD11 HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -139.02 -167.15 2.16 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.645 1.178 . . . . 0.0 110.407 -178.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 p -132.71 178.05 7.15 Favored 'General case' 0 C--O 1.232 0.175 0 O-C-N 120.824 -1.173 . . . . 0.0 112.712 -176.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.27 -37.25 79.89 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.285 -0.885 . . . . 0.0 113.245 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.9 m -70.72 -18.62 62.8 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -89.23 -34.18 16.72 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.498 1.119 . . . . 0.0 110.974 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -58.04 -44.05 87.18 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.852 -0.53 . . . . 0.0 111.355 166.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -57.55 -32.68 67.34 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.48 -48.08 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 122.986 0.514 . . . . 0.0 110.851 173.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.505 HD23 HG11 ' A' ' 12' ' ' VAL . 59.0 tp -59.8 -49.28 78.32 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.247 1.019 . . . . 0.0 111.468 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.82 -46.79 84.2 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.512 0.725 . . . . 0.0 111.213 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.69 -17.06 70.68 Favored Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.456 0.942 . . . . 0.0 115.456 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -110.36 -31.83 7.16 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.963 1.381 . . . . 0.0 113.772 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 m -126.22 -14.93 5.86 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -156.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.43 28.33 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.85 109.01 1.12 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.536 1.534 . . . . 0.0 112.289 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 52.97 42.85 32.23 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.863 1.665 . . . . 0.0 113.072 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.406 HG12 ' N ' ' A' ' 48' ' ' ILE . 6.5 tt -53.32 156.23 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 125.529 1.532 . . . . 0.0 115.129 -171.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.406 ' N ' HG12 ' A' ' 47' ' ' ILE . 45.3 mm -116.94 -64.42 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 C-N-CA 127.899 2.48 . . . . 0.0 108.527 -177.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -133.34 155.56 49.22 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 122.036 0.922 . . . . 0.0 112.131 175.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.87 120.46 8.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 113.075 -1.875 . . . . 0.0 108.789 173.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -106.72 139.21 41.51 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.369 1.467 . . . . 0.0 109.332 170.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.57 HD13 HG22 ' A' ' 12' ' ' VAL . 55.4 tp -134.48 146.43 49.76 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.347 1.059 . . . . 0.0 108.902 164.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.53 133.36 30.72 Favored 'General case' 0 C--O 1.241 0.605 0 C-N-CA 126.844 2.058 . . . . 0.0 107.106 177.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' NZ ' ' OXT' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -70.9 148.45 47.75 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 116.977 -1.889 . . . . 0.0 108.714 148.215 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.505 HG21 ' H ' ' A' ' 8' ' ' ASP . 27.0 m -99.78 136.14 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.553 -172.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' OXT' ' NZ ' ' A' ' 54' ' ' LYS . 29.0 tp . . . . . 0 C--O 1.249 1.034 0 C-N-CA 127.111 2.164 . . . . 0.0 113.67 -164.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.487 ' HA ' ' OD1' ' B' ' 5' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 118.809 -0.615 . . . . 0.0 109.687 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.452 HG13 ' H ' ' B' ' 3' ' ' GLN . 7.6 p -151.32 -61.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.338 0.098 0 O-C-N 124.326 1.016 . . . . 0.0 110.077 170.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.452 ' H ' HG13 ' B' ' 2' ' ' VAL . 12.8 tt0 -161.88 170.67 19.04 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.328 2.251 . . . . 0.0 108.582 164.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 61.4 17.83 8.74 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.97 2.108 . . . . 0.0 113.474 -172.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . 0.487 ' OD1' ' HA ' ' B' ' 1' ' ' MET . 22.4 m-20 -73.93 -58.71 3.12 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.53 1.132 . . . . 0.0 112.344 -169.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -112.16 8.72 20.03 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.114 1.365 . . . . 0.0 112.476 -175.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 p 3.5 83.21 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.439 1 C-N-CA 132.7 4.4 . . . . 0.0 116.18 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -157.28 -54.52 0.08 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 122.052 0.93 . . . . 0.0 111.363 169.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.7 m -140.39 -174.88 4.07 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.943 1.697 . . . . 0.0 110.528 -170.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -63.07 148.06 48.94 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.193 0.521 . . . . 0.0 110.048 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -99.43 155.19 17.67 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 152.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.5 t -128.03 89.37 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.744 1.218 . . . . 0.0 108.097 163.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 3.7 m -64.94 128.96 37.92 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 165.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.5 ttm -143.14 146.1 33.43 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 122.107 0.956 . . . . 0.0 111.764 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.9 tp -125.29 112.88 16.89 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 126.389 1.876 . . . . 0.0 109.447 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.56 165.32 11.9 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 113.955 -1.475 . . . . 0.0 109.803 176.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -119.59 121.5 39.46 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.745 1.218 . . . . 0.0 109.227 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.77 163.36 14.26 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 122.408 1.099 . . . . 0.0 110.599 175.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -32.36 67.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.038 1.735 . . . . 0.0 113.021 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -75.76 -7.3 54.07 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.09 0.556 . . . . 0.0 112.228 174.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.36 3.25 63.26 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.433 1.492 . . . . 0.0 113.694 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -77.98 119.9 22.07 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 118.182 0.991 . . . . 0.0 110.663 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -82.46 132.12 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.536 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -134.55 125.13 26.67 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 122.255 1.026 . . . . 0.0 112.139 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -98.99 130.06 45.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 126.223 1.809 . . . . 0.0 110.302 -172.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -141.01 139.71 34.19 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.642 0.777 . . . . 0.0 111.749 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.18 133.85 33.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.366 159.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -119.9 76.07 1.13 Allowed 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 122.178 0.99 . . . . 0.0 108.497 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -77.9 161.41 27.6 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.762 1.625 . . . . 0.0 111.196 -175.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.79 30.73 63.33 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.797 -0.638 . . . . 0.0 113.101 171.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 16.0 mt -115.96 -179.05 3.55 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.835 1.254 . . . . 0.0 111.847 -171.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 13.3 p -134.33 179.39 6.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.412 -0.805 . . . . 0.0 111.148 171.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.61 -34.24 75.29 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -66.83 -26.73 67.06 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 173.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -87.64 -29.42 21.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.378 1.071 . . . . 0.0 111.574 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -58.83 -44.73 90.99 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.565 -0.709 . . . . 0.0 111.049 165.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.38 -27.88 67.76 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 175.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.74 -53.96 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 118.419 0.554 . . . . 0.0 110.348 171.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.99 -53.59 56.65 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.097 0.408 . . . . 0.0 111.396 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.53 -53.35 58.51 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.02 0.928 . . . . 0.0 111.269 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.92 -24.05 69.79 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-O 119.25 -0.75 . . . . 0.0 114.895 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -98.25 -26.41 14.54 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.409 1.104 . . . . 0.0 113.118 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.0 -14.38 6.09 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -155.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.31 24.6 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -168.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -79.05 98.08 6.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.434 1.894 . . . . 0.0 111.184 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 62.01 52.4 3.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.566 1.947 . . . . 0.0 112.444 -164.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.86 129.39 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.136 160.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.8 mm -105.7 -49.03 8.99 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 C-N-CA 124.221 1.009 . . . . 0.0 109.405 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -142.66 156.26 45.03 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.789 0.836 . . . . 0.0 111.3 171.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 pp -148.05 157.37 43.47 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.256 0.551 . . . . 0.0 110.867 155.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -143.38 94.42 2.61 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 127.086 2.154 . . . . 0.0 107.866 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tt -81.14 139.93 35.31 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.852 0.861 . . . . 0.0 109.636 167.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -148.82 122.16 9.02 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.988 0.915 . . . . 0.0 110.235 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -65.56 92.15 0.14 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 122.32 1.057 . . . . 0.0 108.301 160.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.37 -0.65 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 -159.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.254 1.308 0 C-N-CA 129.26 3.024 . . . . 0.0 112.971 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 tpt . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.5 m -135.61 170.59 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 C-N-CA 126.386 1.875 . . . . 0.0 108.489 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -60.01 99.31 0.07 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.188 1.395 . . . . 0.0 110.244 168.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -127.19 -40.91 1.8 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -168.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -130.82 38.08 3.73 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.88 1.272 . . . . 0.0 109.091 -169.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 t80 67.1 -13.05 0.21 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.905 2.482 . . . . 0.0 113.985 -163.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 t -88.0 100.76 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 119.66 1.118 . . . . 0.0 112.988 -173.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -141.77 -66.18 0.41 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.084 0.954 . . . . 0.0 111.489 163.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -146.24 177.76 8.76 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.899 0.88 . . . . 0.0 112.219 171.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 54' ' ' LYS . 38.7 m-85 -50.23 149.31 2.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.713 1.605 . . . . 0.0 113.787 -163.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -87.73 140.63 29.31 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.112 0.965 . . . . 0.0 110.276 163.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 t -135.32 85.57 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.833 1.653 . . . . 0.0 107.726 164.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.5 m -77.76 116.58 18.39 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 2.9 tpp -127.58 155.52 43.72 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.485 0.66 . . . . 0.0 110.236 -170.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' N ' ' HG3' ' A' ' 14' ' ' MET . 3.2 pp -135.06 144.79 47.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.786 0.834 . . . . 0.0 111.918 158.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.82 155.55 42.43 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.947 1.699 . . . . 0.0 109.641 -168.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -69.84 123.89 22.62 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.221 0.534 . . . . 0.0 111.721 175.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -71.7 164.71 25.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.525 1.93 . . . . 0.0 111.907 168.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -53.63 -34.95 60.3 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.867 1.267 . . . . 0.0 113.21 169.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.74 -3.6 26.23 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.603 1.161 . . . . 0.0 113.268 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.47 1.61 80.73 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.26 1.41 . . . . 0.0 114.455 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -92.03 147.61 22.82 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 118.672 1.236 . . . . 0.0 111.671 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -73.86 113.04 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 123.624 0.77 . . . . 0.0 109.14 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -105.27 140.84 37.81 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.648 0.737 . . . . 0.0 110.048 174.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -97.74 135.68 39.18 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 126.807 2.043 . . . . 0.0 110.503 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -151.03 125.66 9.6 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.105 0.955 . . . . 0.0 112.203 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -69.64 134.95 49.32 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.326 168.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -130.8 79.85 1.92 Allowed 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 124.064 0.946 . . . . 0.0 108.508 167.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.7 164.21 13.99 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.165 0.986 . . . . 0.0 111.498 -176.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.31 36.76 59.5 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 pp -138.56 170.86 15.26 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 125.834 1.653 . . . . 0.0 109.884 175.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.1 p -114.75 178.57 4.23 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -170.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.96 -25.53 64.59 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.615 -1.303 . . . . 0.0 114.189 -169.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.6 p -75.12 -27.27 59.74 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.646 0.779 . . . . 0.0 112.799 169.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -76.89 -33.73 57.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.51 1.124 . . . . 0.0 110.91 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -60.02 -43.09 95.49 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.255 1.022 . . . . 0.0 112.033 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -55.21 -38.56 68.58 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 172.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.98 -44.99 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 123.892 0.877 . . . . 0.0 110.821 175.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.48 -52.49 65.43 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.03 0.832 . . . . 0.0 111.444 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -57.81 -47.21 83.26 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.545 0.738 . . . . 0.0 111.458 176.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.12 -24.97 63.8 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.048 1.309 . . . . 0.0 115.219 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -95.5 -1.01 51.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.847 1.259 . . . . 0.0 114.039 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.1 p -53.88 -53.72 48.59 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.12 0.873 . . . . 0.0 112.984 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.37 -5.51 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 128.877 2.871 . . . . 0.0 117.832 170.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -130.93 -177.84 4.55 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 128.204 2.602 . . . . 0.0 111.116 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.03 88.34 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.967 1.307 . . . . 0.0 113.514 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 tp -65.5 122.17 15.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 129.093 2.957 . . . . 0.0 110.864 168.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.3 mm -114.18 -66.47 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 C-N-CA 126.252 1.821 . . . . 0.0 109.029 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -133.23 138.79 46.65 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.333 1.424 . . . . 0.0 113.067 -170.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 tt -146.67 119.93 8.94 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.245 2.218 . . . . 0.0 108.571 -170.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -126.44 91.7 3.41 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.699 1.6 . . . . 0.0 110.188 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 tt -82.79 138.14 34.09 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.824 0.85 . . . . 0.0 110.146 168.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -152.01 118.88 5.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.323 1.449 . . . . 0.0 109.458 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -60.9 144.4 53.03 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-O 121.874 0.845 . . . . 0.0 111.613 173.312 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m -89.11 142.27 13.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.396 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 C--O 1.25 1.083 0 C-N-CA 127.424 2.29 . . . . 0.0 112.629 -167.45 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.2 tpp . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -95.61 -38.64 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.619 0.768 . . . . 0.0 110.383 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -71.76 86.4 0.95 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.12 1.368 . . . . 0.0 111.399 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -71.47 -21.64 61.92 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.264 1.426 . . . . 0.0 113.029 174.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -141.92 153.54 44.44 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.609 1.963 . . . . 0.0 108.223 171.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.573 ' CZ ' ' HE2' ' B' ' 29' ' ' LYS . 96.2 m-85 42.31 62.32 1.72 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.714 1.245 . . . . 0.0 111.319 -159.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.3 p -70.88 153.11 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.535 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -56.88 143.83 35.84 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 123.041 1.401 . . . . 0.0 110.87 172.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.4 m 138.1 -174.91 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.971 2.908 . . . . 0.0 111.205 -144.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -94.52 162.28 13.87 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.179 1.392 . . . . 0.0 109.82 151.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -126.73 126.31 43.26 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 128.198 2.599 . . . . 0.0 107.945 173.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -126.24 97.27 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 C-N-CA 124.546 1.139 . . . . 0.0 109.841 -171.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 10.2 m -90.03 94.39 9.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.233 1.013 . . . . 0.0 108.496 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 54.2 ttm -94.05 154.24 17.73 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.633 0.73 . . . . 0.0 109.954 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -147.3 113.76 5.97 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.705 1.202 . . . . 0.0 109.898 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.42 -173.66 2.35 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.544 1.138 . . . . 0.0 110.421 173.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -118.07 134.14 55.26 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.705 1.202 . . . . 0.0 110.48 167.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.51 161.07 30.79 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.478 1.911 . . . . 0.0 111.461 173.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -55.21 -29.67 58.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.214 1.406 . . . . 0.0 113.105 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -71.89 -3.15 20.78 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.97 0.908 . . . . 0.0 113.357 174.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.02 13.9 78.33 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.266 1.412 . . . . 0.0 113.693 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -107.34 152.15 24.53 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.63 1.572 . . . . 0.0 110.736 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -68.76 152.22 45.61 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 122.023 0.916 . . . . 0.0 112.87 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -136.85 92.46 2.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.644 1.977 . . . . 0.0 108.594 -163.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -81.37 127.63 32.96 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.558 1.943 . . . . 0.0 111.645 -169.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -132.8 79.97 1.87 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.095 1.758 . . . . 0.0 108.589 -173.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -83.47 131.28 35.03 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 111.426 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -140.48 82.11 1.84 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.877 1.271 . . . . 0.0 111.066 -176.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.573 ' HE2' ' CZ ' ' B' ' 6' ' ' PHE . 90.5 mttt -69.49 166.15 19.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.027 1.331 . . . . 0.0 110.193 166.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.23 26.22 72.66 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.081 -0.844 . . . . 0.0 114.633 159.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.06 -172.75 2.96 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.103 0.961 . . . . 0.0 111.849 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.4 p -127.95 176.97 7.18 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -173.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.21 -42.25 76.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.955 0.902 . . . . 0.0 112.792 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 26.6 m -67.14 -30.7 70.76 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.55 -0.719 . . . . 0.0 112.775 176.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.88 -34.87 57.74 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.748 0.819 . . . . 0.0 111.2 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -58.72 -44.92 90.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.703 1.201 . . . . 0.0 111.82 169.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -57.92 -38.23 75.52 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.344 0.657 . . . . 0.0 112.053 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -66.41 -49.61 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.144 0.578 . . . . 0.0 111.2 171.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 tp -52.65 -54.92 26.65 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.969 0.908 . . . . 0.0 111.144 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.84 -50.34 73.63 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.421 1.088 . . . . 0.0 111.501 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.09 -17.88 56.42 Favored Glycine 0 CA--C 1.534 1.263 0 N-CA-C 115.537 0.975 . . . . 0.0 115.537 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -111.52 -19.45 12.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.844 1.258 . . . . 0.0 113.875 -175.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.49 -13.44 2.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -161.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.56 48.48 0.19 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -172.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.36 98.0 11.52 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.528 1.531 . . . . 0.0 111.392 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 64.62 71.52 0.46 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.563 1.945 . . . . 0.0 111.625 -172.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tt -72.94 137.56 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.412 1.485 . . . . 0.0 113.616 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 37.8 mm -120.01 -58.09 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 129.562 3.145 . . . . 0.0 108.037 -175.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -137.02 160.4 39.04 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.538 1.063 . . . . 0.0 112.751 174.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tt -151.33 113.01 4.43 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.761 1.225 . . . . 0.0 109.306 173.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 94.02 4.72 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 123.982 0.913 . . . . 0.0 109.805 176.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tt -92.53 132.42 36.84 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.35 0.66 . . . . 0.0 109.271 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -146.41 120.58 9.5 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.092 1.357 . . . . 0.0 110.709 -174.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -61.13 113.3 2.5 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 121.175 -0.953 . . . . 0.0 110.153 165.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 11.6 t -74.37 152.56 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.245 0.845 0 C-N-CA 125.834 1.654 . . . . 0.0 112.854 -171.285 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 mtt . . . . . 0 CA--C 1.498 -1.03 0 CA-C-O 120.37 0.128 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.0 m 47.08 177.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 124.154 1.93 . . . . 0.0 112.753 -170.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -79.26 38.75 0.37 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 120.794 -1.191 . . . . 0.0 113.791 -175.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -93.36 -34.89 13.3 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.163 1.385 . . . . 0.0 109.911 165.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.75 -66.5 0.3 Allowed 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.86 0.864 . . . . 0.0 111.091 -174.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -125.15 89.98 3.15 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 127.454 2.302 . . . . 0.0 108.835 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.83 146.8 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.208 171.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.1 132.49 53.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 123.625 1.679 . . . . 0.0 113.023 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m 154.6 -175.22 0.0 OUTLIER 'General case' 0 C--O 1.237 0.421 0 C-N-CA 128.893 2.877 . . . . 0.0 108.214 -154.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -98.55 158.4 15.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 122.414 1.102 . . . . 0.0 111.217 156.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -106.39 148.8 27.66 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.628 1.571 . . . . 0.0 108.145 160.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t -130.21 90.22 1.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 124.523 1.129 . . . . 0.0 108.486 168.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.0 m -75.57 105.42 6.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 170.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 58.3 ttm -125.2 150.24 47.18 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.619 0.768 . . . . 0.0 111.332 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 1.2 tt -135.77 117.07 14.59 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.655 1.182 . . . . 0.0 111.024 -172.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -116.29 172.29 7.28 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 126.261 1.825 . . . . 0.0 110.86 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -131.04 139.74 49.98 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.435 1.094 . . . . 0.0 110.162 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -152.8 -176.83 5.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.566 0.747 . . . . 0.0 110.252 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 36.22 75.23 0.06 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 128.42 2.688 . . . . 0.0 112.918 163.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t70 78.92 -3.32 2.22 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.024 2.129 . . . . 0.0 113.903 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.74 11.01 10.64 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.738 1.161 . . . . 0.0 113.68 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -67.05 102.96 1.07 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.449 1.5 . . . . 0.0 109.423 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -77.81 139.53 39.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.36 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -140.34 133.91 30.18 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.717 0.77 . . . . 0.0 111.645 -175.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.406 ' CZ ' HD12 ' A' ' 15' ' ' LEU . 7.1 m-85 -80.82 151.29 28.79 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.675 169.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -138.2 152.02 48.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.788 1.235 . . . . 0.0 109.956 153.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -120.09 81.55 1.76 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.239 1.416 . . . . 0.0 109.145 -169.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -85.18 71.11 10.92 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.284 0.564 . . . . 0.0 110.754 -168.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -66.45 160.55 24.69 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.788 1.235 . . . . 0.0 111.201 171.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.75 22.26 77.32 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.984 170.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 mt -105.63 -178.58 3.69 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.739 1.216 . . . . 0.0 111.777 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 p -132.44 177.25 7.74 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.73 1.212 . . . . 0.0 111.166 170.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.29 -33.21 75.01 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.279 -0.888 . . . . 0.0 112.978 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.3 m -69.23 -22.54 63.86 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 173.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -89.32 -31.25 17.9 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.388 1.075 . . . . 0.0 111.246 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -58.43 -43.81 88.88 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.617 -0.677 . . . . 0.0 111.102 164.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -56.78 -32.99 66.19 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.358 0.874 . . . . 0.0 113.358 173.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.7 t -68.84 -52.72 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 118.323 0.51 . . . . 0.0 110.396 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.02 -48.58 79.63 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.305 0.502 . . . . 0.0 111.238 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -61.25 -39.98 92.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.436 1.095 . . . . 0.0 112.758 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.47 -12.89 77.45 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 118.866 -0.963 . . . . 0.0 115.215 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -118.24 -28.83 5.7 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.665 1.233 . . . . 0.0 113.501 -174.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -126.25 -24.11 3.74 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -162.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.41 31.55 0.06 Allowed 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -175.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -57.58 -50.61 72.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.378 1.871 . . . . 0.0 113.509 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -122.7 51.76 1.38 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.483 1.513 . . . . 0.0 109.503 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 tp -60.1 126.5 17.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 126.046 1.738 . . . . 0.0 112.757 -172.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mm -110.22 -54.21 5.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.153 0 C-N-CA 127.274 2.23 . . . . 0.0 108.337 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -140.46 154.79 46.76 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 123.641 0.776 . . . . 0.0 111.226 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.41 149.14 34.19 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.946 155.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 ttp-105 -139.72 99.16 3.64 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.472 1.909 . . . . 0.0 108.26 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -99.1 141.17 32.2 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.184 174.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -149.21 124.47 10.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.8 -169.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 112.29 5.92 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 160.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.22 161.35 4.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 122.46 1.124 . . . . 0.0 112.896 -156.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--O 1.254 1.301 0 C-N-CA 126.702 2.001 . . . . 0.0 111.135 168.506 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.2 t -123.84 158.45 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 126.17 1.788 . . . . 0.0 107.766 175.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -52.45 133.06 35.5 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.137 1.375 . . . . 0.0 112.619 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -145.48 1.87 0.94 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -174.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -100.39 -41.52 6.99 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.032 0.933 . . . . 0.0 111.761 -172.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -71.32 3.36 3.75 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.861 1.264 . . . . 0.0 113.926 170.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -14.6 83.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.454 1 C-N-CA 132.26 4.224 . . . . 0.0 116.0 -170.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -151.28 -76.81 0.14 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.116 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.7 t -168.12 -178.09 3.56 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.114 2.166 . . . . 0.0 108.874 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -39.33 128.3 1.81 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.5 1.92 . . . . 0.0 114.667 -161.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -97.91 94.82 7.1 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 126.606 1.963 . . . . 0.0 109.208 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.88 131.29 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 167.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 91.4 m -134.02 92.79 3.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.715 -1.216 . . . . 0.0 107.715 173.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.2 ttp -112.89 162.65 15.58 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.502 1.121 . . . . 0.0 109.862 -175.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -150.43 156.67 41.91 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 122.109 0.957 . . . . 0.0 111.373 167.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.84 175.67 7.49 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.007 1.723 . . . . 0.0 109.893 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -126.71 134.06 50.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.571 1.148 . . . . 0.0 109.521 171.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -72.83 160.03 32.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.404 1.481 . . . . 0.0 110.94 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.18 -27.07 68.15 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.782 0.833 . . . . 0.0 112.289 168.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.47 -7.06 45.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.901 1.28 . . . . 0.0 112.973 171.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.66 1.58 73.84 Favored Glycine 0 C--N 1.341 0.837 0 C-N-CA 124.643 1.116 . . . . 0.0 114.718 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 pttm -91.11 146.0 24.21 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.452 1.126 . . . . 0.0 110.937 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -85.27 149.47 25.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.867 174.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -143.85 142.26 30.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.683 0.754 . . . . 0.0 110.923 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -96.16 153.94 17.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 122.558 1.17 . . . . 0.0 112.738 -169.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -136.86 70.06 1.41 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.086 2.554 . . . . 0.0 107.878 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -83.93 116.51 22.82 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.346 1.458 . . . . 0.0 109.8 172.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -144.93 91.36 2.15 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.829 1.652 . . . . 0.0 110.13 -174.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.46 169.35 9.97 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 170.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.76 36.7 66.54 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 123.189 0.423 . . . . 0.0 113.141 176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.12 -164.74 1.54 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.145 0.978 . . . . 0.0 109.977 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.9 p -137.82 -178.54 5.3 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.774 -1.204 . . . . 0.0 112.943 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.96 -35.71 81.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.297 -0.877 . . . . 0.0 112.395 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 45.2 m -72.95 -18.71 61.35 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.812 0.845 . . . . 0.0 113.196 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -86.43 -37.38 18.39 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.453 1.101 . . . . 0.0 110.566 172.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -59.6 -41.31 90.06 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.564 -0.71 . . . . 0.0 111.552 166.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.43 -39.65 73.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.341 1.056 . . . . 0.0 112.212 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.04 -51.99 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.27 1.028 . . . . 0.0 109.927 172.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.58 -50.47 70.0 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.944 0.898 . . . . 0.0 112.25 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -57.55 -53.8 54.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.555 1.142 . . . . 0.0 110.594 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.24 -22.83 61.34 Favored Glycine 0 CA--C 1.534 1.269 0 N-CA-C 115.036 0.774 . . . . 0.0 115.036 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -89.57 -19.97 24.33 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.389 1.095 . . . . 0.0 112.786 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -125.96 -27.75 3.27 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -161.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.75 65.35 1.88 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.806 1.242 . . . . 0.0 113.612 -169.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.31 -64.89 0.76 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.285 1.034 . . . . 0.0 109.966 165.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -117.05 178.68 4.27 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 148.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -121.27 154.87 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 163.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 44.8 mm -109.44 -61.79 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -136.51 147.79 47.3 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.508 1.123 . . . . 0.0 110.559 172.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 tp -149.53 104.88 3.4 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.941 1.296 . . . . 0.0 108.937 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.1 145.15 26.84 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.859 0.864 . . . . 0.0 110.059 168.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 tt -143.54 136.76 27.9 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.996 1.318 . . . . 0.0 108.59 164.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.84 142.89 49.19 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 124.564 1.146 . . . . 0.0 108.382 169.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.4 ' HE3' ' OXT' ' B' ' 56' ' ' LEU . 18.2 ptmt -63.32 153.27 35.47 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 119.389 -0.924 . . . . 0.0 111.871 161.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 1.6 t -136.15 8.71 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 123.255 1.502 . . . . 0.0 113.382 172.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.4 ' OXT' ' HE3' ' B' ' 54' ' ' LYS . 63.5 tp . . . . . 0 C--O 1.251 1.174 0 C-N-CA 131.25 3.82 . . . . 0.0 109.121 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.461 0.11 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -72.94 158.11 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 123.57 0.748 . . . . 0.0 112.376 173.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 46.72 52.52 11.18 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.925 1.69 . . . . 0.0 112.683 175.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -58.48 -41.14 84.62 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.206 1.402 . . . . 0.0 114.431 -165.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -99.73 -6.33 27.26 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -175.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.3 t80 49.25 54.32 11.15 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.936 1.35 . . . . 0.0 110.546 -165.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.05 164.32 2.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 113.153 -1.84 . . . . 0.0 113.818 -152.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.64 163.61 18.56 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.588 1.155 . . . . 0.0 113.842 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.6 m 78.67 165.09 0.21 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 128.693 2.797 . . . . 0.0 111.816 -162.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -47.0 144.09 2.68 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.949 2.1 . . . . 0.0 113.565 -155.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -89.99 122.14 32.72 Favored 'General case' 0 C--O 1.231 0.081 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 165.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.3 t -106.82 135.41 45.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 158.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 m -137.44 102.29 4.74 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.0 tmm? -115.55 161.34 18.76 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.921 0.889 . . . . 0.0 109.803 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -155.1 153.26 30.59 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 122.191 0.996 . . . . 0.0 111.134 174.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 43' ' ' THR . 88.3 mt -140.68 173.85 11.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 126.21 1.804 . . . . 0.0 109.071 -174.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -109.52 131.81 54.72 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 122.046 0.927 . . . . 0.0 110.478 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.14 164.03 26.04 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.862 1.665 . . . . 0.0 111.03 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.92 -31.55 66.9 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.155 0.982 . . . . 0.0 113.172 173.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -74.75 -2.92 28.62 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.469 0.652 . . . . 0.0 112.542 175.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.7 8.72 79.56 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.245 1.403 . . . . 0.0 113.533 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -89.03 152.52 21.64 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.648 1.179 . . . . 0.0 111.164 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -89.52 135.66 33.47 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.097 173.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -122.37 146.82 46.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.651 0.78 . . . . 0.0 109.834 171.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -97.68 160.5 14.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.618 -174.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -147.54 69.26 1.14 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.01 2.124 . . . . 0.0 107.558 -171.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -73.57 133.78 43.61 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.079 1.752 . . . . 0.0 111.05 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -148.96 83.24 1.45 Allowed 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 125.472 1.509 . . . . 0.0 110.661 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.49 ' HE2' HG11 ' A' ' 55' ' ' VAL . 60.2 tttm -88.75 155.73 19.39 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.845 0.355 . . . . 0.0 111.507 168.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.5 33.8 9.95 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.917 -0.583 . . . . 0.0 113.759 170.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.38 -166.09 1.79 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.647 1.179 . . . . 0.0 110.194 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.0 p -135.83 -179.83 5.9 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.137 -0.977 . . . . 0.0 113.249 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.57 -36.02 81.35 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.596 -0.69 . . . . 0.0 112.618 -175.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.4 m -68.81 -22.38 64.26 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 173.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -85.65 -30.43 23.23 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.297 1.039 . . . . 0.0 111.08 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -62.13 -38.65 89.73 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.314 -0.867 . . . . 0.0 112.045 168.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -56.55 -37.12 70.08 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.187 0.903 . . . . 0.0 112.643 172.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.7 t -68.8 -48.54 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 123.792 0.837 . . . . 0.0 110.749 175.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.97 -53.13 61.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.557 1.143 . . . . 0.0 111.72 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -61.41 -44.02 97.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.688 0.795 . . . . 0.0 111.594 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.99 -25.07 70.6 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.645 0.641 . . . . 0.0 114.221 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -78.86 -21.9 46.83 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.405 1.102 . . . . 0.0 113.272 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.48 HG23 HD11 ' A' ' 16' ' ' LEU . 63.8 m -55.87 -62.02 1.98 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.57 1.548 . . . . 0.0 113.29 -170.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 48.29 35.9 6.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.855 1.662 . . . . 0.0 114.836 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -141.41 20.99 2.22 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.297 1.039 . . . . 0.0 112.094 -171.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 62.01 7.91 2.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 127.365 2.266 . . . . 0.0 116.361 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm 63.34 152.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 127.598 2.359 . . . . 0.0 113.351 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.4 mm -113.61 -59.33 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 CA-C-N 114.59 -1.186 . . . . 0.0 107.936 162.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -149.94 147.71 28.22 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 120.899 0.38 . . . . 0.0 111.272 171.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 pp -136.63 158.09 45.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.622 0.725 . . . . 0.0 111.475 163.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -135.27 145.42 47.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 127.884 2.474 . . . . 0.0 108.542 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 tt -140.62 144.68 35.91 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.519 1.128 . . . . 0.0 108.761 166.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -150.95 122.07 7.72 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.042 1.337 . . . . 0.0 108.487 -173.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 133.44 48.19 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 122.413 1.101 . . . . 0.0 110.229 165.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.49 HG11 ' HE2' ' A' ' 29' ' ' LYS . 33.3 m -105.33 158.65 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.23 -167.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.6 tp . . . . . 0 C--O 1.253 1.271 0 CA-C-N 112.125 -2.307 . . . . 0.0 111.395 172.713 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tmm? . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.48 -32.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 124.868 1.355 . . . . 0.0 111.916 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -85.69 84.42 7.59 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.419 1.087 . . . . 0.0 110.431 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -79.27 -9.27 59.54 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.525 -1.216 . . . . 0.0 112.713 173.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -78.81 -32.82 46.45 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.422 1.489 . . . . 0.0 112.666 -174.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -139.95 81.19 1.81 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 126.411 1.885 . . . . 0.0 106.93 167.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -81.07 52.03 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 124.376 1.071 . . . . 0.0 112.693 -167.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.401 ' CG ' ' H ' ' B' ' 9' ' ' SER . 23.5 t70 65.42 170.86 0.21 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 127.718 2.407 . . . . 0.0 114.17 -170.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.401 ' H ' ' CG ' ' B' ' 8' ' ' ASP . 20.2 m 64.73 162.43 0.13 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.969 2.508 . . . . 0.0 113.339 -173.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -60.69 159.9 10.12 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.258 1.023 . . . . 0.0 112.127 -169.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -117.79 142.5 47.21 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.364 1.466 . . . . 0.0 109.45 171.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t -123.85 92.97 2.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 C-N-CA 126.338 1.855 . . . . 0.0 108.01 175.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 21.2 m -85.04 105.26 15.66 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.318 1.047 . . . . 0.0 108.485 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 4.0 mmt -114.3 150.15 34.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 125.388 1.475 . . . . 0.0 111.608 -169.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.31 113.64 8.51 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.074 0.95 . . . . 0.0 110.435 174.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.72 173.2 8.71 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.708 1.603 . . . . 0.0 109.921 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -116.86 130.35 56.65 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.593 0.757 . . . . 0.0 110.194 178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -76.9 165.16 25.06 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.17 0.988 . . . . 0.0 111.849 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -57.38 -28.62 63.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.426 1.49 . . . . 0.0 113.839 173.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.53 -10.46 59.81 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.857 1.263 . . . . 0.0 112.862 172.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.78 3.69 73.68 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.997 1.284 . . . . 0.0 113.365 -175.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -80.16 117.39 20.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.068 1.347 . . . . 0.0 109.826 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -76.39 127.45 32.88 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 169.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -132.47 131.1 41.34 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.86 0.838 . . . . 0.0 111.358 -175.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -75.35 149.87 38.58 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.01 165.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -149.11 147.14 28.13 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.52 0.728 . . . . 0.0 110.521 160.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -115.31 86.93 2.55 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.714 1.606 . . . . 0.0 108.983 -168.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -85.93 85.3 7.38 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -86.27 164.6 17.05 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 125.06 1.344 . . . . 0.0 112.066 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.39 36.48 55.01 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.168 0.889 . . . . 0.0 113.661 166.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.38 -161.35 1.17 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.716 0.806 . . . . 0.0 111.108 -173.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 51.7 p -143.02 -176.59 4.97 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.086 -1.009 . . . . 0.0 112.94 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.2 -34.91 79.49 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -174.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.0 p -68.07 -25.24 65.24 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.277 -0.889 . . . . 0.0 112.684 173.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -80.93 -29.97 35.37 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.1 0.96 . . . . 0.0 112.211 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -59.28 -46.59 88.12 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.503 -0.748 . . . . 0.0 111.193 165.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.92 -27.73 69.02 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.475 0.71 . . . . 0.0 112.772 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.34 -51.37 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.756 170.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -54.39 47.11 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.36 0.982 . . . . 0.0 110.347 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -61.18 -41.42 96.76 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.386 1.074 . . . . 0.0 112.413 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.74 -36.03 30.25 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 124.014 0.816 . . . . 0.0 114.021 -174.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -79.47 -29.8 41.87 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.093 0.946 . . . . 0.0 111.63 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 58.2 m -65.66 -50.37 65.18 Favored 'General case' 0 C--O 1.227 -0.092 0 C-N-CA 123.37 0.668 . . . . 0.0 111.472 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 47.13 39.07 7.53 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.903 1.681 . . . . 0.0 114.779 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -126.93 165.32 19.61 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.255 1.022 . . . . 0.0 110.45 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.88 110.37 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 123.115 1.436 . . . . 0.0 111.144 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.92 148.74 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 113.978 -1.465 . . . . 0.0 110.824 -177.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -101.25 -59.91 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -139.25 155.05 48.03 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.682 0.793 . . . . 0.0 110.298 165.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 pp -147.06 165.79 28.84 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.689 0.757 . . . . 0.0 111.791 159.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -141.95 161.42 38.02 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.524 1.93 . . . . 0.0 110.402 168.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 22.7 tp -139.46 135.84 33.98 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 126.103 1.761 . . . . 0.0 106.257 158.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -143.36 115.35 8.32 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.543 1.137 . . . . 0.0 108.854 -167.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.79 113.63 12.29 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 167.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.12 151.64 8.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 114.085 -1.416 . . . . 0.0 111.981 -159.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-N 112.825 -1.988 . . . . 0.0 114.368 -172.983 . . . . . . . . 0 0 . 1 stop_ save_