data_2n9k_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 2n9k _Structure_validation_residue.Date_analyzed 2016-12-23 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.512 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -100.07 120.47 39.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -99.42 159.01 15.33 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 124.445 1.098 . . . . 0.0 108.164 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -132.71 145.44 51.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.273 1.029 . . . . 0.0 108.45 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.3 tp -122.15 138.42 54.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.9 mt -121.27 105.8 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.9 mt -85.3 105.09 15.71 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -107.52 73.91 0.94 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.412 1.485 . . . . 0.0 108.617 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.405 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -97.0 152.93 20.2 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-O 123.036 1.353 . . . . 0.0 115.09 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' H ' ' HB3' ' A' ' 57' ' ' GLU . 22.4 mmmt -69.87 -25.0 63.51 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.465 1.106 . . . . 0.0 109.477 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.8 p -109.29 -49.36 3.13 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 124.157 0.983 . . . . 0.0 112.639 -176.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 tt -135.25 148.16 49.5 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 125.02 1.328 . . . . 0.0 108.791 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -135.39 161.61 34.94 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 125.957 1.703 . . . . 0.0 109.906 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.46 -179.03 48.9 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.809 0.719 . . . . 0.0 111.589 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -147.07 149.8 33.79 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.179 0.991 . . . . 0.0 109.609 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 t -150.94 164.27 36.75 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.539 1.536 . . . . 0.0 108.134 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 p -140.35 139.87 35.46 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.669 1.587 . . . . 0.0 108.348 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 t -146.59 151.48 37.38 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -93.82 112.09 23.89 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.9 145.38 44.68 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.761 0.791 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.0 m -67.27 -32.38 57.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.145 1.378 . . . . 0.0 113.108 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -153.02 167.62 28.59 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.603 1.961 . . . . 0.0 108.15 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.82 73.0 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.657 0.783 . . . . 0.0 112.361 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.96 -47.96 70.02 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 119.13 0.877 . . . . 0.0 109.47 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 m -59.03 -44.43 91.74 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.78 -51.09 71.46 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.682 0.277 . . . . 0.0 111.112 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.06 -38.76 90.01 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.683 1.193 . . . . 0.0 111.474 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -68.46 -49.6 58.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.279 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.9 t -56.1 -50.64 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -63.89 -40.89 97.57 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 117.118 -1.42 . . . . 0.0 111.639 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.484 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.4 mttt -56.55 -49.49 74.68 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 120.673 1.579 . . . . 0.0 109.371 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -59.58 -44.05 93.46 Favored 'General case' 0 N--CA 1.434 -1.236 0 C-N-CA 123.722 0.809 . . . . 0.0 109.078 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -64.47 -45.31 87.95 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.453 0.644 . . . . 0.0 112.102 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.86 75.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 120.833 -1.167 . . . . 0.0 110.452 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -32.03 69.24 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.181 0.592 . . . . 0.0 109.68 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -67.13 -38.61 85.87 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -79.25 -4.83 52.54 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.694 0.798 . . . . 0.0 109.305 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.25 31.07 53.35 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 125.802 1.667 . . . . 0.0 111.716 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.1 t -109.86 123.85 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -152.44 104.18 2.9 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.48 -157.0 6.99 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 125.268 1.413 . . . . 0.0 111.247 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -74.31 113.33 11.41 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.484 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.2 m95 -85.48 132.69 34.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.49 0.716 . . . . 0.0 109.399 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -126.58 171.88 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 127.519 2.328 . . . . 0.0 109.365 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -146.79 149.38 33.24 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 124.208 1.003 . . . . 0.0 108.79 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.95 91.28 2.68 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 127.055 2.142 . . . . 0.0 105.386 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.38 -28.76 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.758 0.823 . . . . 0.0 111.481 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.45 -34.43 24.71 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 126.81 2.044 . . . . 0.0 112.124 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.6 t -136.16 13.96 3.3 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.152 0.581 . . . . 0.0 110.548 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttp 50.05 62.29 2.74 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 128.263 2.625 . . . . 0.0 111.682 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.9 m -129.12 154.43 46.72 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.247 0.619 . . . . 0.0 111.212 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -125.36 144.1 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 126.666 1.986 . . . . 0.0 106.988 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 m -134.92 127.43 30.62 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.9 p -110.37 113.1 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.15 95.95 6.89 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.083 0.553 . . . . 0.0 110.409 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 3.6 tt0 . . . . . 0 C--O 1.245 0.863 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.514 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.4 m -77.28 135.84 38.46 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.629 0.772 . . . . 0.0 110.042 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -122.38 157.07 32.66 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 126.649 1.98 . . . . 0.0 106.738 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -134.29 146.86 50.42 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 124.837 1.255 . . . . 0.0 111.274 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -124.64 134.08 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mt -116.39 107.55 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -87.07 106.84 18.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -105.26 74.67 1.11 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.86 147.98 19.21 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.391 -1.083 . . . . 0.0 110.391 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -72.55 -14.63 61.68 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.569 -0.959 . . . . 0.0 110.254 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -48.64 3.07 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.194 2.197 . . . . 0.0 110.098 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.7 tp -135.68 144.35 45.94 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.001 1.273 . . . . 0.0 110.444 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HE3' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -131.15 148.55 52.73 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.525 0.73 . . . . 0.0 109.772 179.323 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.57 179.42 42.06 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 123.53 0.586 . . . . 0.0 113.332 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -142.63 136.31 29.0 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 124.428 1.091 . . . . 0.0 111.169 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -139.42 165.04 28.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.458 1.503 . . . . 0.0 109.458 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.5 p -144.17 145.25 31.97 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.423 1.089 . . . . 0.0 110.075 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -146.94 152.38 38.55 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.716 1.206 . . . . 0.0 109.204 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -95.12 117.05 29.54 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.98 154.43 36.01 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 123.285 0.634 . . . . 0.0 110.668 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.28 -39.11 80.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 124.134 0.974 . . . . 0.0 110.885 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -148.17 163.89 35.59 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.72 70.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 118.959 -0.543 . . . . 0.0 110.785 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -48.23 76.5 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.421 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -61.85 -41.7 98.13 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 126.46 1.904 . . . . 0.0 108.584 178.782 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.65 69.59 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.17 -42.53 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 126.697 1.999 . . . . 0.0 109.587 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 36.6 mtmt -66.68 -48.65 68.66 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 121.019 -1.05 . . . . 0.0 110.663 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.6 t -60.78 -50.89 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -59.55 -38.73 81.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.027 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -58.27 -47.94 82.03 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 120.432 1.469 . . . . 0.0 109.669 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -59.49 -42.02 91.16 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -68.8 -45.99 69.83 Favored 'General case' 0 C--O 1.226 -0.158 0 O-C-N 123.743 0.652 . . . . 0.0 112.157 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.72 89.56 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 120.888 -1.133 . . . . 0.0 108.98 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -31.6 72.61 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.05 -29.2 70.63 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.465 0.575 . . . . 0.0 109.883 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -94.92 -0.9 53.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.075 1.35 . . . . 0.0 110.087 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.35 27.87 58.86 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 126.515 2.007 . . . . 0.0 112.696 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 t -105.41 119.12 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 125.207 1.403 . . . . 0.0 108.558 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -148.52 101.58 3.24 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.64 -148.13 5.08 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 124.18 0.895 . . . . 0.0 113.009 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -86.2 112.92 21.8 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -87.83 134.27 33.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.333 1.053 . . . . 0.0 111.784 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.0 p -123.26 169.55 11.18 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.681 1.992 . . . . 0.0 109.44 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -147.31 121.53 9.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.902 1.228 . . . . 0.0 111.463 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -106.7 84.67 2.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.89 2.876 . . . . 0.0 105.35 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -53.76 -36.37 62.28 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.551 1.14 . . . . 0.0 113.085 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.72 -37.58 63.46 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.916 0.886 . . . . 0.0 112.763 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.6 t -111.81 -1.65 15.51 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.478 1.111 . . . . 0.0 111.633 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt 54.71 55.18 8.18 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 126.123 1.769 . . . . 0.0 106.885 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.1 m -130.07 144.25 51.24 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.064 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -115.68 149.2 38.76 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 176.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.9 m -131.59 132.56 44.18 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 p -116.44 111.74 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 m -100.13 101.29 12.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 . . . . . 0 C--O 1.246 0.87 0 C-N-CA 127.029 2.131 . . . . 0.0 110.694 -179.071 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.412 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -77.96 115.78 17.95 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -99.61 157.45 16.45 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 105.28 -2.119 . . . . 0.0 105.28 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -130.88 146.98 52.47 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 124.856 1.262 . . . . 0.0 110.215 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.7 tp -122.65 139.28 54.12 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 124.691 1.196 . . . . 0.0 108.559 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.9 mt -119.04 109.91 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 105.013 -2.217 . . . . 0.0 105.013 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -88.45 107.5 18.9 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -115.73 73.1 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.13 158.63 26.96 Favored Glycine 0 C--N 1.334 0.443 0 O-C-N 120.322 -1.486 . . . . 0.0 112.049 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.412 ' H ' ' HB3' ' A' ' 57' ' ' GLU . 26.7 mmmt -61.17 -28.31 69.03 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.697 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.8 p -115.57 -36.33 4.29 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 116.914 -1.517 . . . . 0.0 110.922 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.4 tp -128.39 131.56 48.5 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 121.26 1.846 . . . . 0.0 112.941 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.52 150.4 44.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.122 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.76 -176.15 44.68 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 125.388 1.47 . . . . 0.0 110.194 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -145.79 150.98 37.2 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 124.841 1.256 . . . . 0.0 108.603 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -152.25 166.37 31.99 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.951 0.901 . . . . 0.0 109.008 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.9 p -139.82 148.04 41.6 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.903 0.881 . . . . 0.0 109.869 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -146.19 143.25 29.15 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -97.18 105.35 17.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 102.423 -3.177 . . . . 0.0 102.423 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.39 156.66 20.49 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.944 0.778 . . . . 0.0 109.819 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -68.03 -37.52 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 123.246 0.618 . . . . 0.0 111.515 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.96 168.41 24.65 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.21 1.004 . . . . 0.0 108.843 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.05 -25.2 67.72 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 116.735 -1.602 . . . . 0.0 111.79 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.36 -50.52 45.44 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 121.13 1.786 . . . . 0.0 107.066 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.3 m -57.25 -43.92 83.42 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 121.192 -0.942 . . . . 0.0 108.906 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.28 -51.65 68.03 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.346 0.658 . . . . 0.0 110.439 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.88 -44.71 67.06 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 125.858 1.663 . . . . 0.0 110.913 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -67.54 -49.08 65.0 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.524 1.129 . . . . 0.0 110.232 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t -56.72 -49.06 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -61.23 -42.57 98.84 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.943 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 5.0 mttt -56.1 -51.36 68.18 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 119.582 1.083 . . . . 0.0 109.695 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -59.26 -42.41 91.12 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-O 118.35 -0.833 . . . . 0.0 108.92 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -67.15 -44.03 80.84 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 124.085 0.866 . . . . 0.0 112.457 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.38 75.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 120.605 -1.309 . . . . 0.0 110.96 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -28.76 70.2 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 123.368 0.418 . . . . 0.0 110.323 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.41 -40.25 96.7 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -82.63 -1.54 51.3 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.47 1.108 . . . . 0.0 110.651 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.21 24.76 58.75 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 125.809 1.671 . . . . 0.0 113.95 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -107.08 118.46 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 125.662 1.585 . . . . 0.0 109.705 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -154.38 93.07 1.56 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.468 ' H ' ' CG2' ' A' ' 55' ' ' VAL . . . -117.74 -140.24 6.49 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 124.567 1.08 . . . . 0.0 111.297 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -89.66 114.34 25.95 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.444 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 53.9 m95 -86.0 134.05 33.88 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.797 0.439 . . . . 0.0 110.347 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.1 p -126.13 176.64 6.9 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.855 1.662 . . . . 0.0 108.636 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -157.69 129.95 7.18 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.565 -1.334 . . . . 0.0 110.076 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -113.62 78.0 1.1 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -52.54 -34.54 50.58 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.148 0.979 . . . . 0.0 111.586 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.67 -33.41 22.49 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 126.425 1.89 . . . . 0.0 112.091 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 t -127.77 12.81 6.84 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.225 1.41 . . . . 0.0 110.812 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp 51.74 39.1 24.7 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 126.469 1.908 . . . . 0.0 113.287 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -116.76 130.08 56.5 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -101.58 152.13 21.16 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 105.056 -2.201 . . . . 0.0 105.056 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.1 m -135.81 116.25 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 120.529 -1.357 . . . . 0.0 108.304 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.468 ' CG2' ' H ' ' A' ' 42' ' ' GLY . 4.8 p -100.92 108.3 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.3 m -107.8 104.71 14.27 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.412 ' HB3' ' H ' ' A' ' 11' ' ' LYS . 1.8 tt0 . . . . . 0 C--O 1.255 1.375 0 N-CA-C 104.895 -2.261 . . . . 0.0 104.895 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.553 0 CA-C-O 121.717 0.621 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 m -90.2 122.42 33.12 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -106.38 159.19 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 125.803 1.641 . . . . 0.0 108.718 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -130.57 146.18 52.03 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.299 1.44 . . . . 0.0 109.846 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.5 tp -123.44 136.45 54.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt -121.28 104.63 15.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -83.38 105.33 14.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -107.5 74.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.444 1.098 . . . . 0.0 108.629 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.93 154.62 21.26 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-O 122.152 0.862 . . . . 0.0 113.448 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -70.3 -20.77 63.0 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.01 -0.595 . . . . 0.0 111.138 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.7 p -112.48 -43.44 3.49 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.486 1.115 . . . . 0.0 111.967 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 tp -134.25 152.46 51.83 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.213 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.38 157.23 46.23 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.32 1.448 . . . . 0.0 107.844 177.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.03 166.61 39.21 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.055 0.836 . . . . 0.0 111.502 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -132.6 146.75 52.14 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 121.069 -1.254 . . . . 0.0 107.678 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 t -153.64 157.86 40.25 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.455 1.102 . . . . 0.0 108.238 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 p -130.82 143.58 50.84 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.065 1.346 . . . . 0.0 107.556 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.24 151.72 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -97.66 126.12 42.81 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.28 146.39 50.76 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.85 -36.96 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.731 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -148.55 164.3 34.64 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 126.017 1.727 . . . . 0.0 107.74 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.39 -33.87 68.28 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.186 1.394 . . . . 0.0 110.953 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.64 -50.39 73.69 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.611 0.641 . . . . 0.0 109.862 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.7 m -60.76 -44.77 96.32 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.953 1.301 . . . . 0.0 109.458 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.53 -51.09 71.33 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -61.63 -36.98 82.31 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.694 1.197 . . . . 0.0 111.207 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -69.25 -50.21 49.21 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 119.196 0.907 . . . . 0.0 109.524 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.25 -49.21 80.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -63.21 -41.68 99.17 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 117.629 -1.177 . . . . 0.0 111.025 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.8 mttt -57.06 -48.82 77.64 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 120.562 1.528 . . . . 0.0 108.986 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.544 HE21 ' ND2' ' A' ' 36' ' ' ASN . 8.6 tp60 -62.9 -41.23 99.37 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.244 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -62.08 -45.98 91.12 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.849 0.833 . . . . 0.0 110.661 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.9 73.42 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 120.949 -1.094 . . . . 0.0 109.508 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.544 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.96 -31.68 70.1 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 119.217 -0.42 . . . . 0.0 110.119 178.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -64.77 -38.42 90.92 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -82.76 -4.45 57.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.884 1.674 . . . . 0.0 110.117 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.31 43.43 38.53 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 125.171 1.367 . . . . 0.0 110.695 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -124.44 120.62 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 125.08 1.352 . . . . 0.0 108.041 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -159.41 97.73 1.36 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.8 -138.9 3.99 Favored Glycine 0 C--O 1.224 -0.479 0 O-C-N 124.337 1.023 . . . . 0.0 111.773 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -82.92 110.99 18.39 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.679 0.792 . . . . 0.0 109.85 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.477 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 66.2 m95 -87.7 134.59 33.63 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.557 1.543 . . . . 0.0 110.865 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.1 p -127.03 172.29 10.62 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.877 2.071 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -144.61 143.85 30.98 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 119.847 1.203 . . . . 0.0 108.935 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.35 90.23 2.65 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 126.476 1.91 . . . . 0.0 106.295 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.27 -35.68 67.72 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.934 0.893 . . . . 0.0 112.089 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.53 -27.46 6.72 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.29 1.836 . . . . 0.0 112.963 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.9 t -135.5 16.39 3.39 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.682 1.593 . . . . 0.0 109.743 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt 38.68 50.29 1.59 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 127.651 2.38 . . . . 0.0 110.275 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -116.79 157.84 24.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.818 0.847 . . . . 0.0 110.595 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -129.34 143.16 50.74 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 127.572 2.349 . . . . 0.0 106.097 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.3 m -134.07 135.29 43.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.3 p -118.91 111.12 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.93 98.24 10.91 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 124.843 1.257 . . . . 0.0 109.797 -179.461 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -85.75 127.6 34.57 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -111.8 158.28 19.57 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.492 1.117 . . . . 0.0 108.148 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -131.56 146.02 52.01 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.278 1.431 . . . . 0.0 109.712 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.8 tp -122.15 137.67 54.74 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.2 mt -122.63 104.78 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 126.469 1.907 . . . . 0.0 106.137 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.4 mt -83.76 105.37 14.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -106.61 75.04 1.04 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.424 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -94.47 161.9 24.28 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-O 123.42 1.567 . . . . 0.0 116.384 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -70.11 -25.57 63.56 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 125.54 1.536 . . . . 0.0 110.718 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -114.69 -39.35 3.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 119.045 -0.502 . . . . 0.0 112.224 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -135.72 158.74 43.65 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.57 150.84 45.53 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.45 175.03 41.28 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.17 152.41 39.2 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.571 0.748 . . . . 0.0 109.047 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -157.54 159.78 37.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.328 1.051 . . . . 0.0 108.743 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.94 142.44 50.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.19 1.396 . . . . 0.0 108.963 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 t -145.53 144.01 30.29 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -87.72 117.66 26.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 104.286 -2.487 . . . . 0.0 104.286 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.09 147.41 47.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 118.547 0.612 . . . . 0.0 110.277 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.2 -30.28 48.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.757 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -154.56 162.63 41.05 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 125.338 1.455 . . . . 0.0 108.066 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -29.02 66.26 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 124.011 0.925 . . . . 0.0 110.716 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.32 70.01 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.342 0.591 . . . . 0.0 109.883 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.488 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 9.5 m -60.11 -44.75 94.62 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.81 -50.55 73.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -58.84 -40.8 85.33 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.104 0.562 . . . . 0.0 112.035 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 7.9 mtmp? -67.42 -48.91 65.91 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.242 0.928 . . . . 0.0 109.785 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.87 -49.09 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -63.62 -41.65 98.27 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 117.556 -1.212 . . . . 0.0 110.663 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -56.34 -48.55 76.53 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 120.647 1.567 . . . . 0.0 108.745 178.057 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.516 HE21 ' ND2' ' A' ' 36' ' ' ASN . 13.2 tp60 -62.78 -41.92 99.47 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.14 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -63.75 -43.76 95.49 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 118.442 0.564 . . . . 0.0 111.442 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.67 72.24 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.036 -1.04 . . . . 0.0 109.383 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.516 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.89 -32.45 69.53 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.6 0.562 . . . . 0.0 109.623 178.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -65.97 -36.51 83.51 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.479 -0.763 . . . . 0.0 109.203 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -83.76 -3.34 57.74 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.565 1.146 . . . . 0.0 109.888 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.77 42.3 46.74 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 125.002 1.287 . . . . 0.0 111.087 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -117.41 123.07 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -152.69 97.13 2.2 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.43 -152.78 5.8 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 124.861 1.22 . . . . 0.0 112.141 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.15 112.13 13.49 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.915 0.886 . . . . 0.0 109.953 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.481 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 61.4 m95 -85.4 133.54 34.12 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.522 1.129 . . . . 0.0 110.031 179.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.6 p -124.73 176.71 6.4 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.754 2.022 . . . . 0.0 110.908 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -148.08 146.72 28.95 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 120.428 -1.42 . . . . 0.0 109.42 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -138.07 86.23 2.16 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.586 1.954 . . . . 0.0 107.782 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.05 -27.71 67.17 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.542 -1.349 . . . . 0.0 111.574 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.91 -29.36 11.84 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.92 1.688 . . . . 0.0 113.224 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -135.76 11.64 3.41 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.896 2.079 . . . . 0.0 108.843 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 45.05 51.33 8.93 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 127.283 2.233 . . . . 0.0 109.007 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.8 m -115.37 158.03 23.03 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.341 1.056 . . . . 0.0 110.074 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -131.04 145.31 51.99 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 128.411 2.684 . . . . 0.0 106.463 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 m -134.88 137.59 43.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 p -119.84 110.67 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.46 98.02 10.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 122.662 0.385 . . . . 0.0 110.55 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 5.1 tt0 . . . . . 0 C--O 1.254 1.335 0 N-CA-C 104.631 -2.359 . . . . 0.0 104.631 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -79.98 125.01 29.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -107.05 159.93 15.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.274 1.83 . . . . 0.0 107.216 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -131.27 145.63 51.97 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.992 1.317 . . . . 0.0 109.997 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.8 tp -124.88 134.48 52.68 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 177.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -119.06 107.54 21.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.4 mt -85.43 104.44 15.23 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -103.15 73.94 1.26 Allowed 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.9 152.62 20.83 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 124.106 1.948 . . . . 0.0 115.262 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -78.68 -14.31 59.36 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 126.102 1.761 . . . . 0.0 109.001 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.6 p -104.04 -60.92 1.51 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.293 2.237 . . . . 0.0 109.909 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.407 HD11 ' H ' ' A' ' 14' ' ' LYS . 44.6 tp -136.55 159.25 42.37 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.519 1.928 . . . . 0.0 107.696 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' H ' HD11 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -133.15 156.87 46.67 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.621 1.168 . . . . 0.0 108.319 177.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.42 175.89 42.95 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.816 -0.513 . . . . 0.0 111.816 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -146.19 149.51 34.09 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.232 1.013 . . . . 0.0 108.72 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -153.11 158.63 42.15 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.578 1.551 . . . . 0.0 107.989 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p -132.45 138.0 47.45 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.27 152.9 39.92 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -99.48 127.12 45.52 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.8 148.63 52.57 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.55 0.74 . . . . 0.0 110.129 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.3 p -68.26 -38.56 79.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 123.428 0.691 . . . . 0.0 111.933 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -148.61 169.44 20.33 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.363 1.865 . . . . 0.0 108.989 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -19.04 65.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.574 0.75 . . . . 0.0 112.009 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.94 -50.38 16.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.8 m -60.67 -41.51 95.2 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.54 -50.88 72.15 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.86 -37.32 86.96 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.46 0.475 . . . . 0.0 111.75 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -66.71 -50.09 63.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.024 0.829 . . . . 0.0 109.164 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.1 t -58.04 -50.55 77.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -63.13 -39.31 94.31 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 117.307 -1.33 . . . . 0.0 111.441 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 4.8 mttt -56.71 -47.86 79.0 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 120.325 1.42 . . . . 0.0 109.322 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.51 HE21 ' ND2' ' A' ' 36' ' ' ASN . 14.4 tp60 -62.02 -42.79 99.55 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -61.47 -44.87 96.32 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 121.665 0.745 . . . . 0.0 110.667 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.86 -48.4 71.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 120.383 -1.448 . . . . 0.0 111.012 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.51 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.47 -29.03 65.89 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.747 0.819 . . . . 0.0 109.903 178.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.6 -43.36 80.67 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -79.29 -5.84 55.35 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.369 1.067 . . . . 0.0 110.892 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.09 29.35 46.46 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 125.182 1.372 . . . . 0.0 112.45 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.2 t -107.2 122.49 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -151.57 99.99 2.66 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.14 -155.15 6.35 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 125.265 1.412 . . . . 0.0 111.963 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -76.98 113.08 14.29 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.38 1.072 . . . . 0.0 109.236 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.451 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 68.9 m95 -86.94 133.64 33.58 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.217 1.407 . . . . 0.0 111.516 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.9 p -125.55 175.5 7.5 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.774 2.43 . . . . 0.0 111.362 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -148.0 145.49 28.55 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 120.209 -1.557 . . . . 0.0 109.211 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.77 87.11 2.29 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 127.328 2.251 . . . . 0.0 105.172 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -57.0 -32.57 66.25 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.987 0.915 . . . . 0.0 113.086 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.05 -26.94 17.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.402 1.881 . . . . 0.0 112.021 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.7 t -135.48 15.94 3.41 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.774 1.23 . . . . 0.0 109.59 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttm 42.85 47.45 4.8 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 126.097 1.759 . . . . 0.0 111.017 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.9 m -114.9 154.13 29.24 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.364 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -129.27 142.92 50.71 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 127.492 2.317 . . . . 0.0 104.914 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.2 m -134.84 137.26 43.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -119.37 112.32 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 123.716 0.807 . . . . 0.0 108.833 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.2 96.71 10.18 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.622 1.169 . . . . 0.0 109.422 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.244 0.807 0 C-N-CA 125.188 1.395 . . . . 0.0 111.045 179.502 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m -80.65 113.97 19.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -97.89 159.21 15.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -131.88 147.03 52.45 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 124.74 1.216 . . . . 0.0 109.996 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -122.18 143.75 49.38 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.177 1.391 . . . . 0.0 107.374 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.8 mt -124.57 113.02 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.9 mt -92.42 106.92 18.82 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -113.29 73.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.1 156.87 20.95 Favored Glycine 0 C--N 1.333 0.406 0 O-C-N 120.64 -1.288 . . . . 0.0 112.759 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -68.76 -11.6 60.5 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 121.805 -0.821 . . . . 0.0 111.056 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.9 p -132.57 -39.59 1.0 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.188 1.395 . . . . 0.0 111.615 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -124.83 131.92 53.39 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 120.064 1.302 . . . . 0.0 110.064 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -133.39 160.88 36.06 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.374 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.15 -171.1 42.9 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -147.86 149.99 33.3 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.617 1.567 . . . . 0.0 107.301 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 t -152.18 166.41 31.8 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -139.78 149.19 43.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 121.645 -0.659 . . . . 0.0 110.172 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 t -145.99 149.45 34.18 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -101.24 105.66 16.79 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.37 156.4 19.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.326 1.05 . . . . 0.0 110.169 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -74.27 -39.08 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 123.15 0.58 . . . . 0.0 110.568 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -140.46 164.12 31.0 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 124.318 1.047 . . . . 0.0 108.604 -178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -25.23 68.01 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.131 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.63 -50.13 59.55 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.311 0.96 . . . . 0.0 108.88 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -58.72 -41.2 85.82 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 121.585 -0.697 . . . . 0.0 109.333 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.67 -51.46 67.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.589 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.03 -45.45 75.18 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.246 1.018 . . . . 0.0 111.174 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -65.84 -47.91 73.38 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.377 0.671 . . . . 0.0 110.484 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.5 -47.61 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -62.05 -40.25 95.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.209 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 38.2 mttt -56.91 -48.25 78.66 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.182 0.901 . . . . 0.0 109.281 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -59.95 -41.04 91.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -66.39 -44.84 81.95 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 123.732 0.645 . . . . 0.0 112.026 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.67 72.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 120.583 -1.323 . . . . 0.0 110.794 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -29.43 69.24 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.499 0.72 . . . . 0.0 110.29 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.81 -43.63 92.51 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -79.8 -3.1 46.27 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.374 1.07 . . . . 0.0 110.318 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.13 20.89 63.92 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 125.284 1.421 . . . . 0.0 114.224 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.07 116.25 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.885 1.674 . . . . 0.0 106.795 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -149.47 92.43 1.93 Allowed 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.88 -149.66 6.77 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 124.68 1.133 . . . . 0.0 111.294 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -83.32 113.88 21.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.306 1.442 . . . . 0.0 107.799 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.45 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 55.4 m95 -85.91 137.92 32.39 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 123.532 0.733 . . . . 0.0 109.83 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 p -129.29 177.98 6.77 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.398 1.879 . . . . 0.0 109.001 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -155.44 142.55 19.23 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 120.482 -1.386 . . . . 0.0 109.461 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -129.74 80.93 1.99 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -54.81 -34.19 62.47 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.234 1.014 . . . . 0.0 110.86 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.01 8.25 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 127.601 2.36 . . . . 0.0 112.211 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.7 t -135.23 18.37 3.41 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.423 1.489 . . . . 0.0 110.573 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttt 44.3 49.15 7.97 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 125.233 1.413 . . . . 0.0 111.555 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.2 m -131.13 138.58 49.55 Favored 'General case' 0 C--O 1.227 -0.105 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -110.32 152.42 26.21 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.0 m -135.27 118.51 16.62 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.0 p -103.07 110.9 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.0 m -106.57 107.72 18.88 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 123.848 0.717 . . . . 0.0 110.265 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.091 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.0 m -88.67 136.22 33.11 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -114.0 153.18 29.8 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HZ3' HD11 ' A' ' 7' ' ' ILE . 2.2 tmmt? -130.28 145.75 51.8 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 124.643 1.177 . . . . 0.0 109.299 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.6 tp -120.31 143.94 48.09 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.404 HD11 ' HZ3' ' A' ' 5' ' ' LYS . 43.4 mt -125.7 103.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 178.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.9 mt -82.42 107.13 14.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -109.96 73.47 0.84 Allowed 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.809 1.244 . . . . 0.0 109.125 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -95.35 150.26 19.61 Favored Glycine 0 N--CA 1.443 -0.893 0 O-C-N 121.295 -0.878 . . . . 0.0 111.714 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -7.78 53.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.545 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.5 p -122.17 -39.92 2.54 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.841 1.257 . . . . 0.0 111.445 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.55 153.58 51.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.662 1.585 . . . . 0.0 107.336 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -140.34 160.64 39.53 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.269 1.427 . . . . 0.0 107.215 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.93 177.2 48.4 Favored Glycine 0 CA--C 1.52 0.406 0 O-C-N 121.194 -0.941 . . . . 0.0 112.613 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -143.98 147.99 34.67 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -155.63 161.12 40.86 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 p -135.28 144.34 46.73 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.842 1.257 . . . . 0.0 109.203 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 t -146.93 152.54 38.83 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.197 1.399 . . . . 0.0 107.371 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -100.31 124.15 45.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.06 148.07 48.68 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 122.268 1.033 . . . . 0.0 111.705 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -67.39 -39.58 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.828 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -145.36 169.39 18.37 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.736 1.614 . . . . 0.0 108.205 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -30.96 70.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.291 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.08 -48.79 69.79 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 119.224 0.92 . . . . 0.0 109.952 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.6 m -59.5 -43.05 93.43 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 120.155 1.343 . . . . 0.0 107.821 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.67 -51.13 70.79 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 111.606 0.224 . . . . 0.0 111.606 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.03 -42.75 99.05 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.264 1.426 . . . . 0.0 111.083 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -65.62 -50.16 66.07 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.823 0.738 . . . . 0.0 109.975 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -57.81 -47.59 85.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.9 m-30 -66.4 -39.75 89.2 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 116.988 -1.482 . . . . 0.0 110.947 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 10.6 mttp -57.03 -47.4 81.0 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 120.712 1.597 . . . . 0.0 109.693 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.478 HE21 ' ND2' ' A' ' 36' ' ' ASN . 14.9 tp60 -61.82 -42.54 99.15 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -66.6 -41.18 88.84 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.176 0.512 . . . . 0.0 111.074 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.05 -45.93 83.32 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.036 -1.665 . . . . 0.0 109.446 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.478 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.3 -31.93 69.59 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.585 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.52 -42.99 98.45 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 123.627 0.771 . . . . 0.0 109.139 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -79.84 -4.53 52.57 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.505 1.122 . . . . 0.0 109.97 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.81 43.96 40.16 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 125.661 1.6 . . . . 0.0 110.916 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -124.28 120.34 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 C-N-CA 125.634 1.573 . . . . 0.0 108.282 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -159.18 98.33 1.43 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.4 -137.35 3.78 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.195 0.902 . . . . 0.0 111.765 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -83.54 111.33 18.98 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.785 0.834 . . . . 0.0 109.041 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.471 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 57.9 m95 -87.48 136.81 32.79 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.014 0.926 . . . . 0.0 110.023 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.1 p -126.08 171.48 10.8 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.058 2.143 . . . . 0.0 110.07 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -144.11 142.91 30.87 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 119.6 1.091 . . . . 0.0 109.291 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -133.69 84.51 2.13 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 126.67 1.988 . . . . 0.0 106.674 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.95 -28.6 64.47 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.69 0.796 . . . . 0.0 111.951 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.22 -28.37 18.26 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.621 1.568 . . . . 0.0 112.52 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 t -134.44 6.36 3.53 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.211 1.404 . . . . 0.0 110.178 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp 52.42 51.71 15.63 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 127.288 2.235 . . . . 0.0 109.473 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.8 m -120.85 156.26 32.35 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.439 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -127.68 147.02 50.38 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.065 2.146 . . . . 0.0 106.706 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.5 m -135.33 134.53 39.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 p -117.08 109.97 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.14 96.0 9.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 3.1 tt0 . . . . . 0 C--O 1.25 1.086 0 C-N-CA 124.767 1.227 . . . . 0.0 110.634 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -83.28 117.29 22.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.538 ' CE2' ' HE3' ' A' ' 51' ' ' LYS . 60.2 m-85 -98.91 160.79 14.02 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -133.59 147.03 51.48 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 124.881 1.272 . . . . 0.0 111.09 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.6 tp -123.02 138.48 54.68 Favored 'General case' 0 CA--C 1.511 -0.551 0 C-N-CA 124.613 1.165 . . . . 0.0 108.454 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.2 mt -119.41 106.22 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.9 mt -86.56 105.01 16.54 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -108.19 73.16 0.87 Allowed 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.59 155.87 29.8 Favored Glycine 0 N--CA 1.442 -0.904 0 O-C-N 120.212 -1.555 . . . . 0.0 110.508 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -24.14 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.4 p -111.67 -49.98 2.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.552 1.141 . . . . 0.0 110.244 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 tp -125.48 132.71 52.62 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 119.3 0.955 . . . . 0.0 111.103 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 154.2 34.2 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.14 -177.43 44.21 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -147.48 152.17 37.6 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.62 1.168 . . . . 0.0 108.648 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 t -152.86 165.83 34.21 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.404 1.082 . . . . 0.0 108.311 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 p -140.1 147.79 40.76 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.336 1.054 . . . . 0.0 108.217 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.65 147.31 30.9 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 177.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -95.92 105.85 17.92 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 105.205 -2.146 . . . . 0.0 105.205 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.92 152.11 25.37 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.758 0.823 . . . . 0.0 109.242 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.0 p -73.89 -39.64 52.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 123.783 0.833 . . . . 0.0 110.492 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -145.49 170.2 16.86 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.79 1.236 . . . . 0.0 109.772 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.42 -30.14 71.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 117.421 -1.276 . . . . 0.0 112.191 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.44 -50.0 61.2 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.953 1.251 . . . . 0.0 107.904 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -56.66 -43.25 80.17 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 121.94 -0.475 . . . . 0.0 109.818 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.93 -51.29 67.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.487 0.715 . . . . 0.0 110.752 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -53.24 -47.19 69.22 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.177 1.391 . . . . 0.0 110.642 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -66.51 -47.75 71.98 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 123.663 0.785 . . . . 0.0 111.372 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.65 -48.21 89.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -61.67 -41.21 97.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.939 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 10.2 mttt -57.17 -49.7 75.13 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 119.628 1.104 . . . . 0.0 109.971 178.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -60.55 -41.44 94.54 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.115 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -67.96 -46.06 72.47 Favored 'General case' 0 C--O 1.222 -0.362 0 O-C-N 123.851 0.719 . . . . 0.0 111.275 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.0 -47.2 84.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.81 -1.181 . . . . 0.0 110.8 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -30.34 71.48 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 123.435 0.459 . . . . 0.0 110.735 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.78 -36.64 84.96 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.04 0.936 . . . . 0.0 109.283 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -83.83 -5.0 59.11 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.857 1.263 . . . . 0.0 110.3 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.32 26.0 34.81 Favored Glycine 0 C--N 1.338 0.681 0 C-N-CA 124.974 1.273 . . . . 0.0 113.028 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.9 t -113.06 116.73 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 125.137 1.375 . . . . 0.0 109.667 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -155.08 95.9 1.78 Allowed 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.99 -137.69 3.78 Favored Glycine 0 CA--C 1.511 -0.212 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.562 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -84.41 113.91 21.52 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.441 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 55.6 m95 -89.65 141.62 28.43 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.599 0.76 . . . . 0.0 109.676 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 p -128.19 -176.98 3.97 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.719 1.608 . . . . 0.0 108.487 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -159.71 141.19 12.85 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.668 -1.27 . . . . 0.0 109.681 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -132.11 80.2 1.9 Allowed 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 127.882 2.473 . . . . 0.0 105.581 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.49 -29.35 66.18 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.834 -0.542 . . . . 0.0 111.487 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.97 -28.91 10.9 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.828 2.051 . . . . 0.0 111.147 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 t -136.4 20.26 3.15 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.6 1.96 . . . . 0.0 110.019 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.538 ' HE3' ' CE2' ' A' ' 4' ' ' TYR . 22.1 mtpp 37.77 55.6 1.55 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 128.609 2.763 . . . . 0.0 111.436 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -127.04 140.33 52.37 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -112.63 151.26 30.33 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 104.353 -2.462 . . . . 0.0 104.353 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.2 m -135.11 115.21 13.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 p -102.95 112.08 35.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 C-N-CA 124.084 0.954 . . . . 0.0 108.586 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 m -103.23 100.6 10.51 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 . . . . . 0 C--O 1.247 0.938 0 C-N-CA 127.411 2.284 . . . . 0.0 112.593 -178.031 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.829 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 m -91.31 140.81 29.42 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 114.054 -1.073 . . . . 0.0 109.66 -178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -121.5 152.77 38.78 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.169 1.788 . . . . 0.0 107.352 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -130.56 145.64 51.92 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 125.684 1.594 . . . . 0.0 109.346 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.0 tp -122.79 138.32 54.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -123.05 102.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.16 104.33 12.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -105.95 74.05 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.673 1.589 . . . . 0.0 110.043 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.72 156.37 22.48 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-O 123.755 1.753 . . . . 0.0 114.628 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -77.25 -13.67 59.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 113.733 -1.234 . . . . 0.0 109.854 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.1 t -127.93 -37.27 1.93 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -135.73 145.72 46.94 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -139.86 161.13 38.31 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.611 1.096 . . . . 0.0 109.967 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.94 179.24 48.91 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 119.093 0.861 . . . . 0.0 111.575 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -148.03 149.31 31.88 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.444 0.698 . . . . 0.0 110.054 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 t -153.31 159.09 42.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.492 1.117 . . . . 0.0 108.494 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.47 139.5 51.58 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 126.229 1.812 . . . . 0.0 106.626 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.34 152.02 38.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -101.84 126.75 48.79 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.15 151.58 50.52 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.207 1.003 . . . . 0.0 110.457 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 m -68.12 -40.93 83.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.372 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -144.48 170.66 15.62 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 126.157 1.783 . . . . 0.0 109.42 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.35 75.26 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.855 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.55 -47.89 74.29 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 119.295 0.952 . . . . 0.0 110.051 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.0 m -58.24 -45.58 87.51 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.72 -50.65 73.12 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.076 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.51 -39.35 90.66 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.706 1.202 . . . . 0.0 111.383 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -66.64 -50.37 63.19 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.404 1.002 . . . . 0.0 109.346 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.19 -51.18 72.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -64.23 -40.33 95.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.542 -1.218 . . . . 0.0 111.674 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 9.2 mttt -57.01 -48.12 79.24 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 120.318 1.417 . . . . 0.0 109.027 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.5 HE21 ' ND2' ' A' ' 36' ' ' ASN . 10.1 tp60 -62.15 -41.64 98.48 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -61.19 -47.03 88.02 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.797 0.808 . . . . 0.0 111.06 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.64 72.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.059 -1.026 . . . . 0.0 110.934 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.5 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.08 -31.86 69.27 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.703 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.88 -35.07 79.62 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 118.475 0.579 . . . . 0.0 109.72 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -85.45 -2.38 58.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.258 1.423 . . . . 0.0 109.526 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.71 36.54 53.24 Favored Glycine 0 C--N 1.338 0.64 0 C-N-CA 125.165 1.364 . . . . 0.0 111.349 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -115.35 122.21 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -152.31 103.27 2.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.92 -156.73 6.93 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 124.776 1.179 . . . . 0.0 112.391 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -74.97 113.45 12.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.459 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 62.9 m95 -87.66 132.35 34.13 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.979 0.912 . . . . 0.0 110.083 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 p -123.64 169.76 11.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.624 1.97 . . . . 0.0 109.334 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -147.72 147.35 29.83 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 119.75 1.159 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -139.12 91.73 2.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 126.275 1.83 . . . . 0.0 106.668 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.69 -32.13 70.22 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.336 -0.852 . . . . 0.0 111.754 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.9 -24.59 9.53 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.141 1.776 . . . . 0.0 113.376 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.7 t -134.77 2.76 3.19 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.695 1.598 . . . . 0.0 110.45 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.2 mttm 49.19 58.34 5.49 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 128.413 2.685 . . . . 0.0 109.65 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.8 m -127.8 150.2 49.93 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.611 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -122.34 141.39 51.6 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 127.372 2.269 . . . . 0.0 106.014 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.2 m -131.46 130.32 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.91 109.52 28.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 98.69 11.52 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.249 1.056 0 C-N-CA 126.59 1.956 . . . . 0.0 112.589 -179.529 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.427 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.3 m -83.24 137.08 34.16 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -116.48 157.8 24.6 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 125.836 1.654 . . . . 0.0 107.01 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -132.98 145.5 50.93 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.647 1.179 . . . . 0.0 109.779 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.8 tp -122.06 142.29 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 mt -127.29 102.13 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.5 mt -81.19 105.1 12.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -108.43 74.56 0.93 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.278 1.031 . . . . 0.0 108.629 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.77 152.91 20.48 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-O 123.074 1.374 . . . . 0.0 113.975 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -63.83 -22.33 66.86 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.967 1.307 . . . . 0.0 110.988 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.0 t -117.93 -36.68 3.57 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.662 1.185 . . . . 0.0 113.034 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.9 tp -135.96 153.04 51.53 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 118.044 -0.979 . . . . 0.0 108.748 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.17 153.62 45.44 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.99 -179.65 44.76 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 123.676 0.655 . . . . 0.0 111.476 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -146.03 157.75 43.87 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.429 1.092 . . . . 0.0 109.782 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.5 t -159.93 163.69 34.02 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.936 1.694 . . . . 0.0 108.373 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 p -138.62 141.86 39.12 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.263 1.425 . . . . 0.0 107.998 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 t -146.9 152.36 38.57 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.629 1.172 . . . . 0.0 108.27 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -98.94 116.87 32.16 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.18 151.58 38.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.202 1.001 . . . . 0.0 109.942 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.9 p -67.24 -39.56 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 123.707 0.803 . . . . 0.0 112.021 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -148.39 164.34 34.41 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.849 1.26 . . . . 0.0 108.366 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -33.15 72.06 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.958 0.903 . . . . 0.0 111.322 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.13 95.16 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 m -66.33 -44.57 82.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 123.788 0.835 . . . . 0.0 109.032 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.61 -47.58 73.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.441 0.696 . . . . 0.0 110.083 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -59.53 -42.73 92.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.86 0.864 . . . . 0.0 111.555 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -63.67 -50.3 69.79 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.136 0.88 . . . . 0.0 110.032 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.0 t -55.91 -51.07 64.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -63.52 -38.38 90.92 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 117.34 -1.314 . . . . 0.0 111.722 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 2.5 mttt -56.87 -48.02 79.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 120.684 1.583 . . . . 0.0 108.693 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.514 HE21 ' ND2' ' A' ' 36' ' ' ASN . 13.6 tp60 -61.48 -42.77 99.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -62.48 -40.87 98.05 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.453 0.644 . . . . 0.0 111.172 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.15 74.21 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 120.703 -1.248 . . . . 0.0 109.238 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.514 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.95 -30.0 68.78 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.504 0.722 . . . . 0.0 109.551 178.218 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.51 -38.26 89.17 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.847 0.859 . . . . 0.0 109.213 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -86.82 -2.65 58.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.831 1.652 . . . . 0.0 110.48 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.79 39.38 65.77 Favored Glycine 0 C--N 1.341 0.84 0 C-N-CA 125.631 1.586 . . . . 0.0 111.507 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.4 t -115.98 121.41 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 124.952 1.301 . . . . 0.0 109.108 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -150.5 100.8 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -139.66 -148.27 5.19 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 125.818 1.675 . . . . 0.0 112.463 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -79.52 114.54 18.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.442 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 58.3 m95 -89.85 132.55 35.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.9 p -121.69 172.38 8.18 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.528 1.931 . . . . 0.0 110.01 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -146.42 138.82 25.14 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.894 -1.129 . . . . 0.0 109.072 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.63 83.22 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 127.529 2.332 . . . . 0.0 106.072 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -56.1 -27.94 55.81 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.416 1.086 . . . . 0.0 112.58 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.09 -29.12 60.14 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.671 1.589 . . . . 0.0 111.804 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.2 t -135.55 16.59 3.37 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.357 1.463 . . . . 0.0 109.48 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt 41.1 46.5 2.58 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 128.041 2.536 . . . . 0.0 110.831 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.6 m -109.07 155.32 21.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.025 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -126.42 140.57 52.38 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.777 2.431 . . . . 0.0 106.087 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.0 m -131.17 132.75 44.95 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -115.9 109.2 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.19 97.06 10.4 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 1.5 tt0 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.249 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m -75.16 137.39 41.29 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 124.291 1.037 . . . . 0.0 110.785 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.414 ' CE1' ' HE3' ' A' ' 51' ' ' LYS . 76.6 m-85 -124.69 157.32 35.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.843 2.057 . . . . 0.0 107.28 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -135.62 146.18 47.63 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.183 1.393 . . . . 0.0 110.193 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.07 139.84 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.4 mt -124.79 103.66 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -83.52 105.1 14.18 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -105.08 73.88 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.7 152.5 21.12 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -64.28 -14.77 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.372 1.469 . . . . 0.0 113.296 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.8 p -142.65 -19.36 0.68 Allowed 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.394 1.477 . . . . 0.0 112.972 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -135.55 132.99 37.91 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 123.664 0.786 . . . . 0.0 109.611 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -139.29 160.3 40.14 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.182 0.515 . . . . 0.0 109.755 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.11 166.55 34.71 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.683 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -133.29 126.46 31.51 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 121.793 -0.828 . . . . 0.0 109.107 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -128.79 164.64 22.59 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.179 1.391 . . . . 0.0 109.044 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 p -145.98 138.64 25.61 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 123.721 0.809 . . . . 0.0 110.099 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.0 t -146.81 151.03 36.46 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.5 128.26 36.48 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.21 153.01 42.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.3 m -68.09 -37.66 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 123.532 0.733 . . . . 0.0 110.495 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -150.24 163.82 37.29 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.73 -27.57 69.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.288 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.92 68.56 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 m -62.51 -43.16 99.48 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.085 1.354 . . . . 0.0 109.356 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.59 -49.42 74.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.285 0.564 . . . . 0.0 109.767 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.46 -41.39 94.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 123.485 0.714 . . . . 0.0 111.44 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -64.43 -48.72 74.26 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.52 -0.737 . . . . 0.0 110.883 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.25 -54.77 30.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -58.69 -38.93 79.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.76 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 7.0 mttp -58.7 -49.87 76.0 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.867 1.212 . . . . 0.0 108.753 178.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -57.84 -41.65 82.76 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -67.43 -45.47 76.0 Favored 'General case' 0 C--O 1.226 -0.134 0 O-C-N 123.415 0.447 . . . . 0.0 111.415 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.26 85.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.028 -1.045 . . . . 0.0 109.485 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -31.11 70.94 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.121 0.568 . . . . 0.0 109.653 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.65 -33.0 74.91 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -91.34 -5.86 53.93 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.386 1.474 . . . . 0.0 110.623 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.76 27.96 48.61 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.851 1.691 . . . . 0.0 112.975 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.5 t -101.74 121.16 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 124.619 1.167 . . . . 0.0 108.407 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -149.91 101.41 3.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.59 -154.8 6.7 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 125.105 1.336 . . . . 0.0 111.946 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -85.69 115.79 23.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.411 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 62.5 m95 -88.83 136.12 33.17 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.771 0.828 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 p -122.57 167.59 13.2 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.803 1.641 . . . . 0.0 107.551 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -149.67 130.17 13.92 Favored 'General case' 0 CA--C 1.518 -0.255 0 O-C-N 121.095 -1.003 . . . . 0.0 109.509 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -117.61 91.85 3.68 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.499 1.92 . . . . 0.0 106.3 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -57.77 -36.06 71.63 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.006 0.922 . . . . 0.0 111.205 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.84 -35.11 30.74 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.974 1.31 . . . . 0.0 112.374 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 t -121.38 2.96 10.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.979 1.312 . . . . 0.0 111.766 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.414 ' HE3' ' CE1' ' A' ' 4' ' ' TYR . 17.0 mtpp 47.19 59.99 3.72 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.395 1.878 . . . . 0.0 108.009 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.6 m -134.55 139.62 45.53 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.152 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -112.68 148.5 34.55 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.1 m -133.13 126.17 31.13 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 p -111.15 116.34 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 105.825 -1.916 . . . . 0.0 105.825 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.34 100.96 10.53 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.251 1.144 0 C-N-CA 125.084 1.354 . . . . 0.0 110.13 -179.101 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.2 m -83.1 128.42 34.47 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -113.91 144.33 43.23 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.881 1.672 . . . . 0.0 108.026 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -116.87 145.98 43.22 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 124.641 1.176 . . . . 0.0 109.296 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.3 tp -125.78 129.76 50.09 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt -114.75 109.95 30.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.465 1.506 . . . . 0.0 107.064 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.89 105.27 16.95 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -104.22 74.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.28 143.97 17.05 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-O 122.275 0.93 . . . . 0.0 112.058 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -69.94 -18.08 63.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.166 0.586 . . . . 0.0 110.026 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 p -102.49 -55.35 2.47 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 127.226 2.21 . . . . 0.0 109.712 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.0 tp -136.47 144.22 44.25 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 122.61 0.364 . . . . 0.0 111.904 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -129.27 151.86 49.47 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.627 0.771 . . . . 0.0 109.192 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.67 173.3 45.76 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -137.52 156.79 47.72 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.316 1.047 . . . . 0.0 109.908 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 t -153.65 162.21 41.46 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.577 1.951 . . . . 0.0 107.309 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 p -136.77 136.85 39.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.05 151.04 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 119.493 1.042 . . . . 0.0 108.81 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -97.47 125.61 42.24 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.726 -1.954 . . . . 0.0 105.726 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.5 153.13 45.55 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 p -68.22 -35.57 71.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-O 119.179 -0.438 . . . . 0.0 111.351 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -153.24 174.68 13.96 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 125.289 1.436 . . . . 0.0 109.082 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -22.94 67.18 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.664 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.07 -50.51 19.3 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 119.84 1.2 . . . . 0.0 109.387 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.441 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 88.4 m -57.76 -41.97 83.06 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.07 70.78 Favored 'General case' 0 N--CA 1.439 -1.0 0 O-C-N 123.389 0.431 . . . . 0.0 111.802 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.99 -39.95 91.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 50.9 mtmt -66.58 -50.0 64.5 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.301 0.641 . . . . 0.0 110.285 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.0 t -57.66 -56.8 13.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -56.53 -40.19 74.67 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-O 118.05 -0.976 . . . . 0.0 112.84 178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 2.9 mttp -55.59 -48.33 75.03 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 118.722 0.692 . . . . 0.0 109.681 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.55 HE21 ' ND2' ' A' ' 36' ' ' ASN . 12.7 tp60 -62.26 -41.43 98.44 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -62.34 -40.4 96.23 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-O 121.769 0.795 . . . . 0.0 111.074 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.03 -45.43 70.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 120.384 -1.448 . . . . 0.0 109.502 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.55 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.31 -32.82 68.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.345 0.658 . . . . 0.0 109.361 178.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.86 -40.98 99.16 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.353 1.061 . . . . 0.0 109.346 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -83.87 -2.49 56.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.497 1.119 . . . . 0.0 110.894 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.12 41.89 59.5 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 125.175 1.369 . . . . 0.0 111.159 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.2 t -116.42 122.54 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -154.5 95.96 1.85 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.98 -138.2 3.33 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.528 1.061 . . . . 0.0 113.235 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -84.94 110.73 19.09 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.163 0.985 . . . . 0.0 111.566 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.451 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.6 m95 -85.6 136.69 33.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.806 1.242 . . . . 0.0 109.44 178.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.4 p -129.49 172.11 11.88 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.842 2.057 . . . . 0.0 110.51 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -149.23 145.52 27.15 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.738 1.154 . . . . 0.0 109.029 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -137.08 94.48 2.96 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 126.688 1.995 . . . . 0.0 106.081 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -63.21 -26.42 68.79 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.143 0.977 . . . . 0.0 112.673 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.29 -22.44 64.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.382 1.473 . . . . 0.0 113.063 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 t -135.24 10.75 3.53 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.642 1.977 . . . . 0.0 109.45 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt 38.77 52.77 1.92 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 128.29 2.636 . . . . 0.0 110.163 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.2 m -120.37 148.1 44.19 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.347 0.659 . . . . 0.0 110.987 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -119.28 140.35 50.42 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 127.642 2.377 . . . . 0.0 105.773 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.5 m -133.54 135.71 44.54 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -116.24 111.88 37.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.03 103.23 15.14 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 123.741 0.816 . . . . 0.0 110.271 179.267 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.156 -0.377 . . . . 0.0 112.156 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -77.82 139.36 39.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.766 0.827 . . . . 0.0 112.029 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -126.86 160.09 31.99 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 127.609 2.364 . . . . 0.0 109.452 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -133.48 146.1 50.8 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.778 1.631 . . . . 0.0 109.691 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 tp -126.84 136.22 52.05 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.1 mt -121.12 107.14 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 105.284 -2.117 . . . . 0.0 105.284 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.7 mt -84.69 105.86 15.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -109.08 74.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.26 150.64 19.68 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-O 122.298 0.943 . . . . 0.0 112.458 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -65.27 -20.43 66.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.653 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.0 p -125.72 -25.34 3.68 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 120.079 1.309 . . . . 0.0 112.032 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 tt -135.18 133.23 38.88 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 119.876 1.216 . . . . 0.0 108.872 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -132.83 154.28 50.47 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.09 178.68 48.2 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -143.77 133.51 23.78 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.391 1.076 . . . . 0.0 110.09 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.7 t -137.73 162.49 33.75 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.061 0.945 . . . . 0.0 109.131 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 p -141.75 137.52 31.69 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 125.91 1.684 . . . . 0.0 108.186 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 t -147.01 152.66 38.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.663 0.785 . . . . 0.0 109.613 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -93.13 122.7 35.78 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.16 149.56 40.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.716 0.807 . . . . 0.0 110.278 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m -67.91 -34.58 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 125.959 1.704 . . . . 0.0 111.632 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -158.07 164.04 37.08 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 126.83 2.052 . . . . 0.0 106.921 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.67 -28.77 70.13 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.58 0.752 . . . . 0.0 112.937 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.1 81.28 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.491 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 22.4 m -69.81 -34.84 74.25 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.43 73.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.82 -42.75 99.86 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.886 1.674 . . . . 0.0 110.191 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 44.9 mtmt -62.77 -48.14 80.44 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 120.923 -1.111 . . . . 0.0 110.309 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.6 t -61.55 -54.06 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -60.08 -39.73 87.08 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 117.365 -1.303 . . . . 0.0 111.298 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.51 -47.9 82.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.457 1.48 . . . . 0.0 108.98 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -58.81 -43.1 90.48 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -67.7 -47.88 68.14 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.645 0.59 . . . . 0.0 112.149 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.95 92.6 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.581 -0.7 . . . . 0.0 110.166 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -32.42 73.91 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.12 -32.26 73.6 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -88.81 -6.07 57.62 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.291 1.036 . . . . 0.0 110.572 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.13 28.26 41.74 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 126.01 1.767 . . . . 0.0 113.224 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -106.46 121.14 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -147.97 104.29 3.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -142.08 -148.66 5.05 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.916 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -84.33 114.38 21.82 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -87.99 131.29 34.68 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.4 p -118.65 174.08 6.48 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 125.251 1.42 . . . . 0.0 109.007 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -150.01 134.56 17.46 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.366 -0.834 . . . . 0.0 109.988 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -122.53 86.48 2.59 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 128.961 2.904 . . . . 0.0 105.599 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.1 -39.28 66.23 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.661 1.184 . . . . 0.0 111.75 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.03 13.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.549 1.54 . . . . 0.0 113.639 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 t -129.39 13.12 6.04 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.576 1.15 . . . . 0.0 111.141 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt 43.7 56.11 4.7 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 125.367 1.467 . . . . 0.0 108.984 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 78.5 m -128.46 142.23 51.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.365 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -118.39 150.58 39.29 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 104.447 -2.427 . . . . 0.0 104.447 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.1 m -134.67 138.21 44.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.82 107.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 103.15 15.13 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 105.138 -2.171 . . . . 0.0 105.138 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.412 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 15.9 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 124.357 1.063 . . . . 0.0 111.451 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.741 0 CA-C-O 122.007 0.781 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 m -84.31 129.3 34.89 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 124.364 1.066 . . . . 0.0 111.668 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -113.25 154.45 26.75 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.576 1.15 . . . . 0.0 108.986 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -130.64 143.83 51.02 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.864 1.266 . . . . 0.0 107.632 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.1 tp -119.32 141.21 49.21 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mt -125.22 109.96 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.8 mt -86.57 105.13 16.63 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -103.24 73.43 1.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 103.255 -2.868 . . . . 0.0 103.255 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.65 141.03 15.39 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -63.34 -18.41 63.61 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.89 0.876 . . . . 0.0 111.416 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.2 p -121.45 -34.31 3.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 118.832 -0.604 . . . . 0.0 111.761 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -136.45 130.61 32.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 125.119 1.367 . . . . 0.0 110.078 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -122.53 160.57 25.35 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.74 178.49 48.48 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -147.29 148.7 31.69 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.93 1.292 . . . . 0.0 109.268 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.2 t -151.39 164.12 37.42 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 125.475 1.51 . . . . 0.0 107.027 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -138.87 140.3 38.4 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.082 1.353 . . . . 0.0 108.283 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -146.89 151.28 36.79 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.87 114.97 29.29 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.36 156.09 30.73 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.401 0.62 . . . . 0.0 110.465 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.92 -36.28 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 118.38 -0.819 . . . . 0.0 112.086 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -154.13 166.47 33.0 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.48 -29.56 70.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.534 0.733 . . . . 0.0 111.33 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.83 -45.9 87.47 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.762 0.71 . . . . 0.0 109.971 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 m -67.1 -43.58 82.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -47.76 76.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.156 0.582 . . . . 0.0 110.709 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -56.82 -45.35 82.36 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.243 1.417 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -66.81 -49.98 64.07 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.189 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 t -54.22 -52.78 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -63.35 -40.45 97.31 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 117.203 -1.379 . . . . 0.0 111.237 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.484 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 1.4 mmtt -55.94 -47.48 77.48 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 120.993 1.724 . . . . 0.0 109.132 178.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.432 HE21 ' ND2' ' A' ' 36' ' ' ASN . 29.6 tp60 -61.06 -44.86 96.76 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -63.69 -42.37 98.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.357 0.598 . . . . 0.0 110.927 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.39 -45.56 75.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 120.352 -1.468 . . . . 0.0 109.779 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.432 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.43 -32.03 68.3 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.184 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.85 -43.04 89.64 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 121.546 0.689 . . . . 0.0 109.191 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -77.96 -5.81 52.4 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.168 0.987 . . . . 0.0 110.237 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.61 36.91 53.22 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 125.387 1.47 . . . . 0.0 111.266 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.84 121.43 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 125.59 1.556 . . . . 0.0 106.89 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -156.13 105.01 2.3 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.69 -142.84 4.15 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 124.121 0.867 . . . . 0.0 111.266 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -81.73 115.25 20.88 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.484 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 51.1 m95 -87.55 132.76 33.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.6 p -123.92 171.77 9.44 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 126.486 1.914 . . . . 0.0 110.028 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -151.19 146.31 26.01 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 120.74 -1.225 . . . . 0.0 109.838 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -140.59 93.43 2.61 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.13 -29.04 65.22 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.357 1.463 . . . . 0.0 111.436 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.69 -30.2 13.13 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 127.023 2.129 . . . . 0.0 111.864 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.3 t -135.64 15.65 3.38 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.928 1.291 . . . . 0.0 108.553 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm 41.65 51.77 3.94 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 126.365 1.866 . . . . 0.0 109.185 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -117.02 149.79 39.69 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.893 -0.504 . . . . 0.0 109.945 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -124.09 142.38 51.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.231 2.213 . . . . 0.0 106.245 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -134.0 137.23 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.82 111.51 35.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.38 96.07 7.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 . . . . . 0 C--O 1.248 0.984 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.068 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 m -85.43 113.5 21.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 104.143 -2.539 . . . . 0.0 104.143 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -92.98 164.28 13.35 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -133.96 146.5 50.52 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 124.71 1.204 . . . . 0.0 111.374 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -122.89 137.88 54.82 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 125.123 1.369 . . . . 0.0 108.294 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 mt -119.63 100.3 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.0 mt -79.05 107.49 11.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 104.2 -2.518 . . . . 0.0 104.2 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -111.34 74.94 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.77 147.14 18.51 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-O 121.783 0.657 . . . . 0.0 112.606 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -60.49 -27.13 67.33 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 124.99 1.316 . . . . 0.0 110.412 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -110.67 -45.74 3.47 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 124.502 1.121 . . . . 0.0 110.185 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 tp -135.3 127.8 30.59 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 119.714 1.143 . . . . 0.0 112.24 -178.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 156.78 24.49 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.231 1.413 . . . . 0.0 109.275 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.95 170.02 40.98 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 124.006 0.812 . . . . 0.0 111.847 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.61 139.86 49.26 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.43 1.492 . . . . 0.0 108.622 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 t -147.12 166.01 28.23 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.019 1.328 . . . . 0.0 108.362 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -141.44 150.45 42.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.515 1.126 . . . . 0.0 109.512 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -145.93 146.84 31.21 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -91.79 110.74 22.08 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 103.516 -2.772 . . . . 0.0 103.516 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.16 141.18 48.37 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.53 -34.65 69.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.093 0.957 . . . . 0.0 110.544 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -142.76 162.92 34.19 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.331 1.452 . . . . 0.0 107.77 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.27 -23.96 67.18 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 119.19 -0.433 . . . . 0.0 110.272 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.73 -50.92 54.83 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.436 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 4.6 m -58.66 -40.53 83.74 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.813 0.845 . . . . 0.0 109.11 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.94 -51.74 66.88 Favored 'General case' 0 C--N 1.343 0.314 0 O-C-N 123.664 0.602 . . . . 0.0 110.162 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -51.78 -47.73 64.09 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 125.125 1.37 . . . . 0.0 111.168 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 51.4 mtmt -65.77 -49.86 66.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 124.739 1.215 . . . . 0.0 111.178 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.81 -46.32 87.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -62.81 -40.57 97.78 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 117.684 -1.15 . . . . 0.0 111.118 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -58.67 -48.88 79.57 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 119.999 1.272 . . . . 0.0 109.615 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -57.83 -42.02 83.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.45 -50.39 71.63 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 124.147 0.905 . . . . 0.0 111.215 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.34 77.83 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.201 -0.937 . . . . 0.0 111.981 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -31.4 69.95 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.543 0.737 . . . . 0.0 110.287 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.1 -31.39 72.23 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.844 0.858 . . . . 0.0 109.707 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -95.15 0.65 54.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.126 1.37 . . . . 0.0 111.379 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.14 26.63 52.08 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.713 1.149 . . . . 0.0 114.151 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 t -108.56 118.78 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 125.245 1.418 . . . . 0.0 108.472 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -152.49 84.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.04 -152.69 8.46 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 125.081 1.324 . . . . 0.0 111.563 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -82.39 107.55 15.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.527 1.131 . . . . 0.0 108.809 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -79.4 138.95 37.83 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.57 1.148 . . . . 0.0 109.062 179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.7 p -125.34 -168.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 126.538 1.935 . . . . 0.0 107.768 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -165.09 145.1 7.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.428 1.491 . . . . 0.0 107.364 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -133.82 87.18 2.35 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -56.86 -35.39 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 123.122 0.569 . . . . 0.0 112.141 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.9 -29.63 12.53 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.856 1.662 . . . . 0.0 112.586 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 t -135.62 19.29 3.31 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.993 1.317 . . . . 0.0 109.2 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 34.42 59.48 0.63 Allowed 'General case' 0 C--N 1.347 0.467 0 C-N-CA 128.323 2.649 . . . . 0.0 110.93 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.7 m -126.82 150.62 49.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.659 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -124.01 152.25 42.79 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.071 -2.196 . . . . 0.0 105.071 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -131.65 138.8 48.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.16 107.03 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 103.865 -2.642 . . . . 0.0 103.865 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.35 97.47 9.86 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.756 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.242 0.684 0 N-CA-C 103.219 -2.882 . . . . 0.0 103.219 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.519 0 CA-C-O 121.634 0.574 . . . . 0.0 111.74 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 m -82.61 114.6 21.11 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -92.9 164.32 13.36 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 126.239 1.816 . . . . 0.0 106.81 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -133.57 146.86 51.39 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.453 1.101 . . . . 0.0 111.198 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.6 tp -124.87 141.78 51.89 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.8 mt -124.92 106.22 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 126.05 1.74 . . . . 0.0 107.048 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.3 mt -85.86 105.0 16.04 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -107.36 74.3 0.96 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.28 1.832 . . . . 0.0 106.413 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.67 155.41 18.35 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-O 123.265 1.48 . . . . 0.0 115.587 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -72.93 -13.36 61.24 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.919 1.688 . . . . 0.0 111.294 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.1 p -130.79 -35.11 1.46 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 119.259 0.936 . . . . 0.0 112.868 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -135.69 144.53 46.01 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -142.05 160.5 40.09 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.427 1.091 . . . . 0.0 108.538 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.38 169.28 33.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -130.6 152.01 50.44 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 120.918 -1.342 . . . . 0.0 108.441 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -151.21 165.01 35.27 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -134.16 146.23 49.99 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.39 151.55 38.45 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -101.24 117.72 35.54 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.06 153.63 46.58 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.814 0.816 . . . . 0.0 110.823 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.28 -41.17 86.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.458 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -145.09 161.8 38.57 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 125.417 1.487 . . . . 0.0 108.409 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.5 -33.93 68.54 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.424 0.69 . . . . 0.0 109.277 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.41 93.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.123 0.969 . . . . 0.0 110.867 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 m -75.26 -39.98 59.3 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.37 -44.81 80.53 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.79 -40.0 86.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.345 1.058 . . . . 0.0 111.21 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -66.11 -50.83 62.67 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.256 0.934 . . . . 0.0 109.576 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -57.53 -46.85 86.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.66 0.6 . . . . 0.0 109.473 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -66.13 -40.48 90.7 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 117.679 -1.153 . . . . 0.0 111.168 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.506 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.5 mttt -55.89 -48.46 75.56 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 120.167 1.349 . . . . 0.0 108.442 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.526 HE21 ' ND2' ' A' ' 36' ' ' ASN . 18.8 tp60 -63.31 -42.5 99.03 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.597 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.41 -45.53 93.27 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-O 121.672 0.749 . . . . 0.0 110.434 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.67 -49.32 69.02 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.16 -0.962 . . . . 0.0 110.717 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.526 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.46 -32.49 68.78 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.489 0.716 . . . . 0.0 109.633 178.711 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -66.02 -36.88 84.45 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -84.17 -4.65 58.95 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.336 1.054 . . . . 0.0 109.973 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.89 36.41 41.89 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 124.881 1.229 . . . . 0.0 112.105 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -114.54 125.23 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -156.34 104.59 2.23 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 177.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.22 -155.12 6.69 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 124.843 1.211 . . . . 0.0 110.973 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -78.37 111.78 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.506 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 60.5 m95 -82.56 138.45 34.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.392 1.477 . . . . 0.0 110.048 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.3 p -129.71 172.29 11.77 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.616 1.966 . . . . 0.0 110.472 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -142.39 133.34 25.77 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 120.791 -1.193 . . . . 0.0 109.084 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -123.18 80.52 1.78 Allowed 'General case' 0 C--O 1.236 0.361 0 C-N-CA 127.578 2.351 . . . . 0.0 106.159 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -52.56 -32.86 43.05 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.93 1.292 . . . . 0.0 112.739 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.63 -29.8 11.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.404 2.282 . . . . 0.0 113.011 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.0 t -136.03 17.8 3.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.508 1.923 . . . . 0.0 107.092 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? 36.21 52.28 0.87 Allowed 'General case' 0 C--N 1.35 0.589 0 C-N-CA 128.586 2.754 . . . . 0.0 109.939 -178.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -113.01 157.33 21.66 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 113.881 -1.508 . . . . 0.0 109.596 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -128.34 145.5 51.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.392 2.277 . . . . 0.0 106.915 178.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.6 m -134.74 138.26 44.19 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.1 p -119.92 112.98 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.06 96.05 6.98 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.873 0.368 . . . . 0.0 110.54 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 C--O 1.246 0.887 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 178.238 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.503 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -81.29 114.25 19.95 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -96.9 162.86 13.21 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.689 1.196 . . . . 0.0 107.808 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -137.22 147.86 46.1 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 123.968 0.907 . . . . 0.0 111.298 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.6 tp -129.69 129.87 44.79 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.8 mt -109.95 112.43 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.9 mt -91.71 109.08 20.39 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -110.66 75.09 0.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.414 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -89.86 152.92 22.7 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-O 121.796 0.664 . . . . 0.0 112.538 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -67.03 -22.25 65.89 Favored 'General case' 0 CA--C 1.518 -0.255 0 O-C-N 122.136 -0.626 . . . . 0.0 110.771 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.7 p -119.43 -33.72 4.01 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 117.488 -1.244 . . . . 0.0 111.549 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -135.84 143.13 44.94 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.781 1.173 . . . . 0.0 109.746 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.41 156.53 48.77 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.31 -178.41 44.2 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.406 1.003 . . . . 0.0 111.544 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -143.93 143.67 31.36 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 125.661 1.585 . . . . 0.0 109.093 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 t -147.86 167.49 24.66 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.792 1.237 . . . . 0.0 108.663 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.4 p -144.34 146.62 32.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.463 1.105 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.4 t -146.83 139.04 24.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.096 0.407 . . . . 0.0 110.596 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -89.85 105.88 18.1 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 103.016 -2.957 . . . . 0.0 103.016 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.3 156.25 21.81 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 123.384 0.674 . . . . 0.0 109.534 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.1 p -67.91 -40.77 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.023 0.929 . . . . 0.0 110.886 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.98 166.38 27.89 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.99 0.916 . . . . 0.0 108.691 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.48 -37.87 76.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.951 1.3 . . . . 0.0 111.694 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.15 -49.41 72.23 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.469 0.652 . . . . 0.0 109.531 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -43.11 96.04 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.949 0.9 . . . . 0.0 109.63 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.88 71.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.85 -44.13 77.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.567 1.547 . . . . 0.0 111.411 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.57 -47.23 82.36 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 121.484 -0.76 . . . . 0.0 109.934 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -60.36 -46.72 94.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -63.22 -40.81 98.52 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 117.334 -1.317 . . . . 0.0 111.232 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -59.36 -47.09 86.75 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.051 1.75 . . . . 0.0 109.923 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -59.46 -42.11 91.27 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -67.9 -48.96 64.57 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 124.032 0.933 . . . . 0.0 111.112 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.28 84.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.008 -1.057 . . . . 0.0 109.577 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -32.72 74.27 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -63.48 -26.24 68.63 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.151 0.581 . . . . 0.0 109.96 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -98.14 -2.73 39.29 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.989 1.316 . . . . 0.0 109.724 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.47 33.25 44.11 Favored Glycine 0 C--N 1.338 0.639 0 C-N-CA 126.336 1.922 . . . . 0.0 112.352 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.87 120.93 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 125.286 1.434 . . . . 0.0 107.256 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -149.64 102.4 3.16 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.69 -152.14 5.8 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 123.649 0.642 . . . . 0.0 112.245 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -82.88 114.94 21.53 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -86.14 140.05 30.55 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 122.808 0.443 . . . . 0.0 109.906 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.6 p -127.48 -178.84 4.62 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.706 1.602 . . . . 0.0 109.1 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -155.41 133.86 11.77 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.313 -0.867 . . . . 0.0 109.43 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -119.61 85.98 2.47 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 129.339 3.056 . . . . 0.0 106.731 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -52.87 -37.96 61.05 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.188 1.395 . . . . 0.0 112.021 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.19 -26.96 5.15 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.675 1.99 . . . . 0.0 113.517 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.2 t -135.18 11.02 3.55 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.961 1.704 . . . . 0.0 109.826 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.252 4.6 ptpp? 40.66 58.66 2.34 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.928 2.091 . . . . 0.0 109.312 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.3 m -129.43 140.58 51.27 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.835 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -108.41 152.08 25.16 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.2 m -132.97 136.16 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.9 p -120.79 111.06 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 m -102.54 104.62 15.04 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 16.5 tt0 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 125.624 1.57 . . . . 0.0 109.328 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 121.708 0.616 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -79.25 113.58 17.5 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -92.42 162.84 14.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -133.62 146.7 51.16 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 123.944 0.898 . . . . 0.0 111.251 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -125.67 143.79 50.88 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.218 1.407 . . . . 0.0 108.652 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.6 mt -127.44 109.3 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 126.706 2.002 . . . . 0.0 106.847 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -90.24 105.14 17.61 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -107.59 74.58 0.97 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 124.774 1.23 . . . . 0.0 108.353 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.38 152.02 19.9 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-O 123.186 1.437 . . . . 0.0 114.592 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -75.67 -9.63 58.75 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 126.183 1.793 . . . . 0.0 110.637 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.8 p -116.02 -49.3 2.71 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.775 1.23 . . . . 0.0 109.892 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.7 tp -136.69 158.86 43.46 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 125.546 1.538 . . . . 0.0 108.966 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.63 157.22 46.55 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.65 1.58 . . . . 0.0 107.435 176.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.18 177.16 46.51 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.57 1.081 . . . . 0.0 111.132 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -149.47 152.77 36.21 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.079 0.952 . . . . 0.0 109.759 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.1 t -156.85 171.61 20.1 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.508 1.123 . . . . 0.0 109.476 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 p -137.56 146.48 44.13 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.68 1.992 . . . . 0.0 108.051 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 t -145.79 151.74 38.42 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -99.92 119.33 38.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.61 144.58 51.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.369 0.604 . . . . 0.0 110.197 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.4 p -67.79 -41.42 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 114.509 -1.223 . . . . 0.0 112.16 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -139.88 163.23 33.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.572 1.149 . . . . 0.0 108.293 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.52 -37.28 67.7 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.584 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.89 75.72 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -58.29 -48.59 79.99 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.834 1.654 . . . . 0.0 109.26 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.35 -47.84 80.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.569 0.748 . . . . 0.0 110.742 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -61.26 -37.33 82.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.344 0.657 . . . . 0.0 111.619 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -70.91 -50.56 33.5 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.956 0.798 . . . . 0.0 110.315 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.6 t -55.93 -46.98 80.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 O-C-N 123.934 0.772 . . . . 0.0 109.217 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -67.93 -40.29 83.34 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 117.24 -1.362 . . . . 0.0 110.963 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.473 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -56.33 -48.31 77.0 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 120.564 1.529 . . . . 0.0 109.188 178.17 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.43 HE21 ' ND2' ' A' ' 36' ' ' ASN . 10.9 tp60 -61.64 -42.27 98.66 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -61.35 -47.46 85.79 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.373 0.606 . . . . 0.0 110.039 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.5 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.016 -1.053 . . . . 0.0 110.886 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.43 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.31 -33.34 70.99 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.639 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -67.89 -28.55 67.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.431 0.692 . . . . 0.0 109.447 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -91.43 -2.33 57.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.535 1.134 . . . . 0.0 109.166 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.35 38.56 70.76 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 125.135 1.35 . . . . 0.0 111.258 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.39 122.92 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -152.09 102.77 2.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.29 -153.98 6.08 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 124.358 0.98 . . . . 0.0 111.196 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -76.26 111.63 11.9 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.295 0.638 . . . . 0.0 109.695 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.473 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.2 m95 -82.71 132.37 35.18 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.3 p -127.49 169.23 13.9 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 128.028 2.531 . . . . 0.0 108.96 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 48' ' ' ASP . 56.5 t80 -143.74 144.45 31.83 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.352 1.061 . . . . 0.0 109.039 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.62 87.33 2.61 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.448 2.299 . . . . 0.0 105.31 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 46' ' ' TYR . 23.2 t70 -53.99 -34.76 60.73 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.951 1.301 . . . . 0.0 113.119 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.58 -25.6 39.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.317 2.247 . . . . 0.0 114.144 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -136.38 14.95 3.22 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.338 1.855 . . . . 0.0 108.619 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt 37.05 50.77 0.94 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 127.434 2.293 . . . . 0.0 110.029 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.4 m -116.42 157.22 25.46 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.708 1.203 . . . . 0.0 109.993 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -127.81 146.67 50.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 127.036 2.134 . . . . 0.0 108.155 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.7 m -135.51 128.17 30.88 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -109.64 109.85 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 98.03 9.22 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.059 0.544 . . . . 0.0 110.406 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--O 1.248 1.003 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 178.137 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.496 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 m -81.09 117.16 21.43 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -96.09 164.24 12.78 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 126.993 2.117 . . . . 0.0 107.046 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.59 146.64 49.79 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.189 0.996 . . . . 0.0 111.118 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.2 tp -122.06 138.1 54.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -119.2 109.0 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 126.276 1.83 . . . . 0.0 106.301 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.9 mt -87.41 105.18 17.1 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 104.913 -2.255 . . . . 0.0 104.913 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -108.4 74.47 0.93 Allowed 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.785 1.634 . . . . 0.0 107.521 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.86 156.96 19.27 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-O 123.465 1.592 . . . . 0.0 114.742 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -73.69 -18.99 60.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 113.677 -1.261 . . . . 0.0 111.458 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.8 p -122.09 -40.77 2.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.94 1.696 . . . . 0.0 113.572 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 tt -132.59 139.01 47.61 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -135.1 161.05 36.43 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.441 1.096 . . . . 0.0 108.822 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.82 -178.63 45.63 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -145.0 146.11 31.78 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.3 t -149.48 161.07 42.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 p -131.83 147.75 52.5 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -145.75 151.4 37.92 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -101.29 109.07 20.87 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.64 147.82 40.38 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.509 0.671 . . . . 0.0 109.933 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 m -67.73 -39.54 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.75 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.7 p30 -145.9 174.01 11.63 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 126.447 1.899 . . . . 0.0 108.861 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.86 76.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.082 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.79 -50.62 71.6 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 118.616 -0.707 . . . . 0.0 112.461 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.2 m -62.64 -44.54 96.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.11 70.71 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.673 0.669 . . . . 0.0 110.501 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.83 -45.88 82.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.361 1.064 . . . . 0.0 111.74 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -66.48 -50.2 64.1 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.267 0.627 . . . . 0.0 110.509 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -55.82 -48.58 78.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -62.81 -43.57 98.45 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.787 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.497 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -54.47 -49.99 68.8 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 119.107 0.867 . . . . 0.0 110.052 179.045 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.466 HE21 ' ND2' ' A' ' 36' ' ' ASN . 18.1 tp60 -62.61 -41.86 99.23 Favored 'General case' 0 N--CA 1.436 -1.129 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -60.71 -46.06 91.84 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.323 0.582 . . . . 0.0 110.788 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.54 -48.65 71.75 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.225 -0.922 . . . . 0.0 110.684 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.466 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.27 -32.56 68.51 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.193 0.597 . . . . 0.0 109.469 178.738 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -67.61 -32.83 73.83 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -85.26 -2.4 58.01 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.761 0.825 . . . . 0.0 109.208 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.36 20.79 74.3 Favored Glycine 0 C--N 1.338 0.669 0 C-N-CA 125.875 1.702 . . . . 0.0 112.841 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -97.87 122.52 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -151.17 103.28 3.01 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.72 -155.07 6.34 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 124.525 1.059 . . . . 0.0 111.368 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -79.23 112.12 16.14 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.563 1.145 . . . . 0.0 108.704 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.497 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 58.9 m95 -86.71 132.58 33.83 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.237 1.415 . . . . 0.0 110.635 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.1 p -124.22 176.02 6.68 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.945 2.098 . . . . 0.0 110.888 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -144.99 134.66 23.39 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 121.226 -0.921 . . . . 0.0 109.6 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -122.57 83.34 2.1 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 127.563 2.345 . . . . 0.0 105.701 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -55.48 -33.43 63.68 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.666 0.787 . . . . 0.0 112.178 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.23 -28.28 7.37 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.494 1.917 . . . . 0.0 113.41 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 t -135.49 17.09 3.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.774 1.63 . . . . 0.0 108.366 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? 38.45 55.49 1.84 Allowed 'General case' 0 C--N 1.345 0.413 0 C-N-CA 127.748 2.419 . . . . 0.0 109.726 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.6 m -118.8 156.75 28.86 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 113.924 -1.489 . . . . 0.0 109.783 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -127.01 142.29 51.58 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 128.025 2.53 . . . . 0.0 106.55 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 m -132.04 136.49 47.27 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -117.79 113.41 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.68 99.41 9.67 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.051 0 C-N-CA 125.126 1.37 . . . . 0.0 109.205 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.95 -179.07 17.67 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 126.397 1.951 . . . . 0.0 109.822 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -100.07 120.47 39.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -99.42 159.01 15.33 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 124.445 1.098 . . . . 0.0 108.164 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -132.71 145.44 51.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.273 1.029 . . . . 0.0 108.45 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.3 tp -122.15 138.42 54.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.9 mt -121.27 105.8 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.9 mt -85.3 105.09 15.71 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -107.52 73.91 0.94 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.412 1.485 . . . . 0.0 108.617 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -97.0 152.93 20.2 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-O 123.036 1.353 . . . . 0.0 115.09 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' H ' ' HB3' ' A' ' 57' ' ' GLU . 22.4 mmmt -69.87 -25.0 63.51 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.465 1.106 . . . . 0.0 109.477 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.8 p -109.29 -49.36 3.13 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 124.157 0.983 . . . . 0.0 112.639 -176.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 tt -135.25 148.16 49.5 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 125.02 1.328 . . . . 0.0 108.791 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -135.39 161.61 34.94 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 125.957 1.703 . . . . 0.0 109.906 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.46 -179.03 48.9 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.809 0.719 . . . . 0.0 111.589 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -147.07 149.8 33.79 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.179 0.991 . . . . 0.0 109.609 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 t -150.94 164.27 36.75 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.539 1.536 . . . . 0.0 108.134 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 p -140.35 139.87 35.46 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.669 1.587 . . . . 0.0 108.348 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 t -146.59 151.48 37.38 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -93.82 112.09 23.89 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.9 145.38 44.68 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.761 0.791 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.0 m -67.27 -32.38 57.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.145 1.378 . . . . 0.0 113.108 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -153.02 167.62 28.59 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.603 1.961 . . . . 0.0 108.15 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.82 73.0 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.657 0.783 . . . . 0.0 112.361 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.96 -47.96 70.02 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 119.13 0.877 . . . . 0.0 109.47 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 m -59.03 -44.43 91.74 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.78 -51.09 71.46 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.682 0.277 . . . . 0.0 111.112 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.06 -38.76 90.01 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.683 1.193 . . . . 0.0 111.474 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -68.46 -49.6 58.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.279 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.9 t -56.1 -50.64 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -63.89 -40.89 97.57 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 117.118 -1.42 . . . . 0.0 111.639 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.484 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.4 mttt -56.55 -49.49 74.68 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 120.673 1.579 . . . . 0.0 109.371 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -59.58 -44.05 93.46 Favored 'General case' 0 N--CA 1.434 -1.236 0 C-N-CA 123.722 0.809 . . . . 0.0 109.078 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -64.47 -45.31 87.95 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.453 0.644 . . . . 0.0 112.102 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.86 75.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 120.833 -1.167 . . . . 0.0 110.452 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -32.03 69.24 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.181 0.592 . . . . 0.0 109.68 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -67.13 -38.61 85.87 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -79.25 -4.83 52.54 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.694 0.798 . . . . 0.0 109.305 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.25 31.07 53.35 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 125.802 1.667 . . . . 0.0 111.716 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.1 t -109.86 123.85 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -152.44 104.18 2.9 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.48 -157.0 6.99 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 125.268 1.413 . . . . 0.0 111.247 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -74.31 113.33 11.41 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.484 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.2 m95 -85.48 132.69 34.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.49 0.716 . . . . 0.0 109.399 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -126.58 171.88 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 127.519 2.328 . . . . 0.0 109.365 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -146.79 149.38 33.24 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 124.208 1.003 . . . . 0.0 108.79 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.95 91.28 2.68 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 127.055 2.142 . . . . 0.0 105.386 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.38 -28.76 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.758 0.823 . . . . 0.0 111.481 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.45 -34.43 24.71 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 126.81 2.044 . . . . 0.0 112.124 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.6 t -136.16 13.96 3.3 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.152 0.581 . . . . 0.0 110.548 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttp 50.05 62.29 2.74 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 128.263 2.625 . . . . 0.0 111.682 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.9 m -129.12 154.43 46.72 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.247 0.619 . . . . 0.0 111.212 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -125.36 144.1 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 126.666 1.986 . . . . 0.0 106.988 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 m -134.92 127.43 30.62 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.9 p -110.37 113.1 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.15 95.95 6.89 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.083 0.553 . . . . 0.0 110.409 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 3.6 tt0 . . . . . 0 C--O 1.245 0.863 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 12.2 ttt . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.39 -171.92 20.97 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 124.923 1.249 . . . . 0.0 110.995 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.4 m -77.28 135.84 38.46 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.629 0.772 . . . . 0.0 110.042 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -122.38 157.07 32.66 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 126.649 1.98 . . . . 0.0 106.738 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -134.29 146.86 50.42 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 124.837 1.255 . . . . 0.0 111.274 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -124.64 134.08 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mt -116.39 107.55 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -87.07 106.84 18.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -105.26 74.67 1.11 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.86 147.98 19.21 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.391 -1.083 . . . . 0.0 110.391 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -72.55 -14.63 61.68 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.569 -0.959 . . . . 0.0 110.254 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -48.64 3.07 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.194 2.197 . . . . 0.0 110.098 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.7 tp -135.68 144.35 45.94 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.001 1.273 . . . . 0.0 110.444 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HE3' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -131.15 148.55 52.73 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.525 0.73 . . . . 0.0 109.772 179.323 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.57 179.42 42.06 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 123.53 0.586 . . . . 0.0 113.332 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -142.63 136.31 29.0 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 124.428 1.091 . . . . 0.0 111.169 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -139.42 165.04 28.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.458 1.503 . . . . 0.0 109.458 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.5 p -144.17 145.25 31.97 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.423 1.089 . . . . 0.0 110.075 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -146.94 152.38 38.55 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.716 1.206 . . . . 0.0 109.204 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -95.12 117.05 29.54 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -120.98 154.43 36.01 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 123.285 0.634 . . . . 0.0 110.668 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.28 -39.11 80.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 124.134 0.974 . . . . 0.0 110.885 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -148.17 163.89 35.59 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.72 70.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 118.959 -0.543 . . . . 0.0 110.785 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -48.23 76.5 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.421 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -61.85 -41.7 98.13 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 126.46 1.904 . . . . 0.0 108.584 178.782 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.65 69.59 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.17 -42.53 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 126.697 1.999 . . . . 0.0 109.587 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 36.6 mtmt -66.68 -48.65 68.66 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 121.019 -1.05 . . . . 0.0 110.663 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.6 t -60.78 -50.89 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -59.55 -38.73 81.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.027 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -58.27 -47.94 82.03 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 120.432 1.469 . . . . 0.0 109.669 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -59.49 -42.02 91.16 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -68.8 -45.99 69.83 Favored 'General case' 0 C--O 1.226 -0.158 0 O-C-N 123.743 0.652 . . . . 0.0 112.157 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.72 89.56 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 120.888 -1.133 . . . . 0.0 108.98 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -31.6 72.61 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.05 -29.2 70.63 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.465 0.575 . . . . 0.0 109.883 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -94.92 -0.9 53.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.075 1.35 . . . . 0.0 110.087 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.35 27.87 58.86 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 126.515 2.007 . . . . 0.0 112.696 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 t -105.41 119.12 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 125.207 1.403 . . . . 0.0 108.558 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -148.52 101.58 3.24 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.64 -148.13 5.08 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 124.18 0.895 . . . . 0.0 113.009 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -86.2 112.92 21.8 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -87.83 134.27 33.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.333 1.053 . . . . 0.0 111.784 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.0 p -123.26 169.55 11.18 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.681 1.992 . . . . 0.0 109.44 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -147.31 121.53 9.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.902 1.228 . . . . 0.0 111.463 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -106.7 84.67 2.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.89 2.876 . . . . 0.0 105.35 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -53.76 -36.37 62.28 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.551 1.14 . . . . 0.0 113.085 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.72 -37.58 63.46 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.916 0.886 . . . . 0.0 112.763 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.6 t -111.81 -1.65 15.51 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.478 1.111 . . . . 0.0 111.633 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt 54.71 55.18 8.18 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 126.123 1.769 . . . . 0.0 106.885 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.1 m -130.07 144.25 51.24 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.064 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -115.68 149.2 38.76 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 176.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.9 m -131.59 132.56 44.18 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 p -116.44 111.74 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 m -100.13 101.29 12.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 . . . . . 0 C--O 1.246 0.87 0 C-N-CA 127.029 2.131 . . . . 0.0 110.694 -179.071 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 10.8 ttt . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 114.0 175.88 19.03 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 126.091 1.805 . . . . 0.0 109.771 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -77.96 115.78 17.95 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -99.61 157.45 16.45 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 105.28 -2.119 . . . . 0.0 105.28 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -130.88 146.98 52.47 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 124.856 1.262 . . . . 0.0 110.215 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.7 tp -122.65 139.28 54.12 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 124.691 1.196 . . . . 0.0 108.559 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.9 mt -119.04 109.91 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 105.013 -2.217 . . . . 0.0 105.013 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -88.45 107.5 18.9 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -115.73 73.1 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.13 158.63 26.96 Favored Glycine 0 C--N 1.334 0.443 0 O-C-N 120.322 -1.486 . . . . 0.0 112.049 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' H ' ' HB3' ' A' ' 57' ' ' GLU . 26.7 mmmt -61.17 -28.31 69.03 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.697 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.8 p -115.57 -36.33 4.29 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 116.914 -1.517 . . . . 0.0 110.922 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.4 tp -128.39 131.56 48.5 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 121.26 1.846 . . . . 0.0 112.941 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.52 150.4 44.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.122 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.76 -176.15 44.68 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 125.388 1.47 . . . . 0.0 110.194 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -145.79 150.98 37.2 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 124.841 1.256 . . . . 0.0 108.603 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -152.25 166.37 31.99 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.951 0.901 . . . . 0.0 109.008 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.9 p -139.82 148.04 41.6 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.903 0.881 . . . . 0.0 109.869 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -146.19 143.25 29.15 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -97.18 105.35 17.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 102.423 -3.177 . . . . 0.0 102.423 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.512 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -110.39 156.66 20.49 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.944 0.778 . . . . 0.0 109.819 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -68.03 -37.52 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 123.246 0.618 . . . . 0.0 111.515 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.96 168.41 24.65 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.21 1.004 . . . . 0.0 108.843 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.05 -25.2 67.72 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 116.735 -1.602 . . . . 0.0 111.79 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.36 -50.52 45.44 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 121.13 1.786 . . . . 0.0 107.066 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.3 m -57.25 -43.92 83.42 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 121.192 -0.942 . . . . 0.0 108.906 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.28 -51.65 68.03 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.346 0.658 . . . . 0.0 110.439 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.88 -44.71 67.06 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 125.858 1.663 . . . . 0.0 110.913 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -67.54 -49.08 65.0 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.524 1.129 . . . . 0.0 110.232 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t -56.72 -49.06 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -61.23 -42.57 98.84 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.943 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 5.0 mttt -56.1 -51.36 68.18 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 119.582 1.083 . . . . 0.0 109.695 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -59.26 -42.41 91.12 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-O 118.35 -0.833 . . . . 0.0 108.92 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -67.15 -44.03 80.84 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 124.085 0.866 . . . . 0.0 112.457 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.38 75.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 120.605 -1.309 . . . . 0.0 110.96 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -28.76 70.2 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 123.368 0.418 . . . . 0.0 110.323 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.41 -40.25 96.7 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -82.63 -1.54 51.3 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.47 1.108 . . . . 0.0 110.651 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.21 24.76 58.75 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 125.809 1.671 . . . . 0.0 113.95 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -107.08 118.46 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 125.662 1.585 . . . . 0.0 109.705 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -154.38 93.07 1.56 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.468 ' H ' ' CG2' ' A' ' 55' ' ' VAL . . . -117.74 -140.24 6.49 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 124.567 1.08 . . . . 0.0 111.297 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -89.66 114.34 25.95 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.444 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 53.9 m95 -86.0 134.05 33.88 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.797 0.439 . . . . 0.0 110.347 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.1 p -126.13 176.64 6.9 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.855 1.662 . . . . 0.0 108.636 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -157.69 129.95 7.18 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.565 -1.334 . . . . 0.0 110.076 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -113.62 78.0 1.1 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -52.54 -34.54 50.58 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.148 0.979 . . . . 0.0 111.586 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.67 -33.41 22.49 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 126.425 1.89 . . . . 0.0 112.091 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 t -127.77 12.81 6.84 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.225 1.41 . . . . 0.0 110.812 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp 51.74 39.1 24.7 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 126.469 1.908 . . . . 0.0 113.287 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -116.76 130.08 56.5 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -101.58 152.13 21.16 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 105.056 -2.201 . . . . 0.0 105.056 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.1 m -135.81 116.25 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 120.529 -1.357 . . . . 0.0 108.304 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.468 ' CG2' ' H ' ' A' ' 42' ' ' GLY . 4.8 p -100.92 108.3 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.3 m -107.8 104.71 14.27 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.412 ' HB3' ' H ' ' A' ' 11' ' ' LYS . 1.8 tt0 . . . . . 0 C--O 1.255 1.375 0 N-CA-C 104.895 -2.261 . . . . 0.0 104.895 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.401 ' CG ' ' H ' ' A' ' 2' ' ' GLY . 5.5 ttt . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.401 ' H ' ' CG ' ' A' ' 1' ' ' MET . . . 131.94 174.23 13.57 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 127.032 2.253 . . . . 0.0 112.2 179.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 m -90.2 122.42 33.12 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -106.38 159.19 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 125.803 1.641 . . . . 0.0 108.718 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -130.57 146.18 52.03 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.299 1.44 . . . . 0.0 109.846 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.5 tp -123.44 136.45 54.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt -121.28 104.63 15.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -83.38 105.33 14.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -107.5 74.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.444 1.098 . . . . 0.0 108.629 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.93 154.62 21.26 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-O 122.152 0.862 . . . . 0.0 113.448 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -70.3 -20.77 63.0 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.01 -0.595 . . . . 0.0 111.138 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.7 p -112.48 -43.44 3.49 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.486 1.115 . . . . 0.0 111.967 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 tp -134.25 152.46 51.83 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.213 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.38 157.23 46.23 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.32 1.448 . . . . 0.0 107.844 177.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.03 166.61 39.21 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.055 0.836 . . . . 0.0 111.502 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -132.6 146.75 52.14 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 121.069 -1.254 . . . . 0.0 107.678 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 t -153.64 157.86 40.25 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.455 1.102 . . . . 0.0 108.238 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 p -130.82 143.58 50.84 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.065 1.346 . . . . 0.0 107.556 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.24 151.72 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -97.66 126.12 42.81 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.28 146.39 50.76 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.85 -36.96 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.731 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -148.55 164.3 34.64 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 126.017 1.727 . . . . 0.0 107.74 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.39 -33.87 68.28 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.186 1.394 . . . . 0.0 110.953 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.64 -50.39 73.69 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.611 0.641 . . . . 0.0 109.862 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.7 m -60.76 -44.77 96.32 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.953 1.301 . . . . 0.0 109.458 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.53 -51.09 71.33 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -61.63 -36.98 82.31 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.694 1.197 . . . . 0.0 111.207 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -69.25 -50.21 49.21 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 119.196 0.907 . . . . 0.0 109.524 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.25 -49.21 80.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -63.21 -41.68 99.17 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 117.629 -1.177 . . . . 0.0 111.025 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.8 mttt -57.06 -48.82 77.64 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 120.562 1.528 . . . . 0.0 108.986 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.544 HE21 ' ND2' ' A' ' 36' ' ' ASN . 8.6 tp60 -62.9 -41.23 99.37 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.244 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -62.08 -45.98 91.12 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.849 0.833 . . . . 0.0 110.661 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.9 73.42 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 120.949 -1.094 . . . . 0.0 109.508 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.544 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.96 -31.68 70.1 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 119.217 -0.42 . . . . 0.0 110.119 178.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -64.77 -38.42 90.92 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -82.76 -4.45 57.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.884 1.674 . . . . 0.0 110.117 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.31 43.43 38.53 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 125.171 1.367 . . . . 0.0 110.695 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -124.44 120.62 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 125.08 1.352 . . . . 0.0 108.041 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -159.41 97.73 1.36 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.8 -138.9 3.99 Favored Glycine 0 C--O 1.224 -0.479 0 O-C-N 124.337 1.023 . . . . 0.0 111.773 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -82.92 110.99 18.39 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.679 0.792 . . . . 0.0 109.85 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.477 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 66.2 m95 -87.7 134.59 33.63 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.557 1.543 . . . . 0.0 110.865 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.1 p -127.03 172.29 10.62 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.877 2.071 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -144.61 143.85 30.98 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 119.847 1.203 . . . . 0.0 108.935 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.35 90.23 2.65 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 126.476 1.91 . . . . 0.0 106.295 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.27 -35.68 67.72 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.934 0.893 . . . . 0.0 112.089 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.53 -27.46 6.72 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.29 1.836 . . . . 0.0 112.963 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.9 t -135.5 16.39 3.39 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.682 1.593 . . . . 0.0 109.743 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt 38.68 50.29 1.59 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 127.651 2.38 . . . . 0.0 110.275 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -116.79 157.84 24.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.818 0.847 . . . . 0.0 110.595 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -129.34 143.16 50.74 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 127.572 2.349 . . . . 0.0 106.097 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.3 m -134.07 135.29 43.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.3 p -118.91 111.12 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.93 98.24 10.91 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 124.843 1.257 . . . . 0.0 109.797 -179.461 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.11 173.2 13.21 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 125.768 1.652 . . . . 0.0 110.574 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -85.75 127.6 34.57 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -111.8 158.28 19.57 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.492 1.117 . . . . 0.0 108.148 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -131.56 146.02 52.01 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.278 1.431 . . . . 0.0 109.712 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.8 tp -122.15 137.67 54.74 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.2 mt -122.63 104.78 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 126.469 1.907 . . . . 0.0 106.137 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.4 mt -83.76 105.37 14.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -106.61 75.04 1.04 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.424 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -94.47 161.9 24.28 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-O 123.42 1.567 . . . . 0.0 116.384 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -70.11 -25.57 63.56 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 125.54 1.536 . . . . 0.0 110.718 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -114.69 -39.35 3.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 119.045 -0.502 . . . . 0.0 112.224 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -135.72 158.74 43.65 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.57 150.84 45.53 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.45 175.03 41.28 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.17 152.41 39.2 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.571 0.748 . . . . 0.0 109.047 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -157.54 159.78 37.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.328 1.051 . . . . 0.0 108.743 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.94 142.44 50.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.19 1.396 . . . . 0.0 108.963 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 t -145.53 144.01 30.29 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -87.72 117.66 26.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 104.286 -2.487 . . . . 0.0 104.286 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.09 147.41 47.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 118.547 0.612 . . . . 0.0 110.277 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.2 -30.28 48.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.757 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -154.56 162.63 41.05 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 125.338 1.455 . . . . 0.0 108.066 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -29.02 66.26 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 124.011 0.925 . . . . 0.0 110.716 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.32 70.01 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.342 0.591 . . . . 0.0 109.883 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.488 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 9.5 m -60.11 -44.75 94.62 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.81 -50.55 73.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -58.84 -40.8 85.33 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.104 0.562 . . . . 0.0 112.035 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 7.9 mtmp? -67.42 -48.91 65.91 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.242 0.928 . . . . 0.0 109.785 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.87 -49.09 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -63.62 -41.65 98.27 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 117.556 -1.212 . . . . 0.0 110.663 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -56.34 -48.55 76.53 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 120.647 1.567 . . . . 0.0 108.745 178.057 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.516 HE21 ' ND2' ' A' ' 36' ' ' ASN . 13.2 tp60 -62.78 -41.92 99.47 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.14 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -63.75 -43.76 95.49 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 118.442 0.564 . . . . 0.0 111.442 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.67 72.24 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.036 -1.04 . . . . 0.0 109.383 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.516 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.89 -32.45 69.53 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.6 0.562 . . . . 0.0 109.623 178.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -65.97 -36.51 83.51 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.479 -0.763 . . . . 0.0 109.203 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -83.76 -3.34 57.74 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.565 1.146 . . . . 0.0 109.888 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.77 42.3 46.74 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 125.002 1.287 . . . . 0.0 111.087 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -117.41 123.07 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -152.69 97.13 2.2 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.43 -152.78 5.8 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 124.861 1.22 . . . . 0.0 112.141 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.15 112.13 13.49 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.915 0.886 . . . . 0.0 109.953 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.481 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 61.4 m95 -85.4 133.54 34.12 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.522 1.129 . . . . 0.0 110.031 179.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.6 p -124.73 176.71 6.4 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.754 2.022 . . . . 0.0 110.908 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -148.08 146.72 28.95 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 120.428 -1.42 . . . . 0.0 109.42 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -138.07 86.23 2.16 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.586 1.954 . . . . 0.0 107.782 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.05 -27.71 67.17 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.542 -1.349 . . . . 0.0 111.574 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.91 -29.36 11.84 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.92 1.688 . . . . 0.0 113.224 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -135.76 11.64 3.41 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.896 2.079 . . . . 0.0 108.843 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 45.05 51.33 8.93 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 127.283 2.233 . . . . 0.0 109.007 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.8 m -115.37 158.03 23.03 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.341 1.056 . . . . 0.0 110.074 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -131.04 145.31 51.99 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 128.411 2.684 . . . . 0.0 106.463 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 m -134.88 137.59 43.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 p -119.84 110.67 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.46 98.02 10.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 122.662 0.385 . . . . 0.0 110.55 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 5.1 tt0 . . . . . 0 C--O 1.254 1.335 0 N-CA-C 104.631 -2.359 . . . . 0.0 104.631 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.08 171.85 12.83 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 126.25 1.881 . . . . 0.0 110.606 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -79.98 125.01 29.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -107.05 159.93 15.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.274 1.83 . . . . 0.0 107.216 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -131.27 145.63 51.97 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.992 1.317 . . . . 0.0 109.997 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.8 tp -124.88 134.48 52.68 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 177.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -119.06 107.54 21.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.4 mt -85.43 104.44 15.23 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -103.15 73.94 1.26 Allowed 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.9 152.62 20.83 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 124.106 1.948 . . . . 0.0 115.262 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -78.68 -14.31 59.36 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 126.102 1.761 . . . . 0.0 109.001 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.6 p -104.04 -60.92 1.51 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.293 2.237 . . . . 0.0 109.909 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.407 HD11 ' H ' ' A' ' 14' ' ' LYS . 44.6 tp -136.55 159.25 42.37 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.519 1.928 . . . . 0.0 107.696 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' H ' HD11 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -133.15 156.87 46.67 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.621 1.168 . . . . 0.0 108.319 177.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.42 175.89 42.95 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.816 -0.513 . . . . 0.0 111.816 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -146.19 149.51 34.09 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.232 1.013 . . . . 0.0 108.72 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -153.11 158.63 42.15 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.578 1.551 . . . . 0.0 107.989 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p -132.45 138.0 47.45 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.27 152.9 39.92 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -99.48 127.12 45.52 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.8 148.63 52.57 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.55 0.74 . . . . 0.0 110.129 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.3 p -68.26 -38.56 79.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 123.428 0.691 . . . . 0.0 111.933 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -148.61 169.44 20.33 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.363 1.865 . . . . 0.0 108.989 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -19.04 65.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.574 0.75 . . . . 0.0 112.009 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.94 -50.38 16.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.8 m -60.67 -41.51 95.2 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.54 -50.88 72.15 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.86 -37.32 86.96 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.46 0.475 . . . . 0.0 111.75 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -66.71 -50.09 63.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.024 0.829 . . . . 0.0 109.164 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.1 t -58.04 -50.55 77.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -63.13 -39.31 94.31 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 117.307 -1.33 . . . . 0.0 111.441 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 4.8 mttt -56.71 -47.86 79.0 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 120.325 1.42 . . . . 0.0 109.322 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.51 HE21 ' ND2' ' A' ' 36' ' ' ASN . 14.4 tp60 -62.02 -42.79 99.55 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -61.47 -44.87 96.32 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 121.665 0.745 . . . . 0.0 110.667 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.86 -48.4 71.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 120.383 -1.448 . . . . 0.0 111.012 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.51 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.47 -29.03 65.89 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.747 0.819 . . . . 0.0 109.903 178.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.6 -43.36 80.67 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -79.29 -5.84 55.35 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.369 1.067 . . . . 0.0 110.892 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.09 29.35 46.46 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 125.182 1.372 . . . . 0.0 112.45 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.2 t -107.2 122.49 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -151.57 99.99 2.66 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.14 -155.15 6.35 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 125.265 1.412 . . . . 0.0 111.963 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -76.98 113.08 14.29 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.38 1.072 . . . . 0.0 109.236 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.451 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 68.9 m95 -86.94 133.64 33.58 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.217 1.407 . . . . 0.0 111.516 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.9 p -125.55 175.5 7.5 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.774 2.43 . . . . 0.0 111.362 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -148.0 145.49 28.55 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 120.209 -1.557 . . . . 0.0 109.211 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.77 87.11 2.29 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 127.328 2.251 . . . . 0.0 105.172 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -57.0 -32.57 66.25 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.987 0.915 . . . . 0.0 113.086 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.05 -26.94 17.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.402 1.881 . . . . 0.0 112.021 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.7 t -135.48 15.94 3.41 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.774 1.23 . . . . 0.0 109.59 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttm 42.85 47.45 4.8 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 126.097 1.759 . . . . 0.0 111.017 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.9 m -114.9 154.13 29.24 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.364 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -129.27 142.92 50.71 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 127.492 2.317 . . . . 0.0 104.914 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.2 m -134.84 137.26 43.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -119.37 112.32 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 123.716 0.807 . . . . 0.0 108.833 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.2 96.71 10.18 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.622 1.169 . . . . 0.0 109.422 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.244 0.807 0 C-N-CA 125.188 1.395 . . . . 0.0 111.045 179.502 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 12.2 ttt . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 121.347 0.594 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.18 -179.12 16.91 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 124.576 1.084 . . . . 0.0 111.06 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m -80.65 113.97 19.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -97.89 159.21 15.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -131.88 147.03 52.45 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 124.74 1.216 . . . . 0.0 109.996 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -122.18 143.75 49.38 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.177 1.391 . . . . 0.0 107.374 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.8 mt -124.57 113.02 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.9 mt -92.42 106.92 18.82 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -113.29 73.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.1 156.87 20.95 Favored Glycine 0 C--N 1.333 0.406 0 O-C-N 120.64 -1.288 . . . . 0.0 112.759 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -68.76 -11.6 60.5 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 121.805 -0.821 . . . . 0.0 111.056 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.9 p -132.57 -39.59 1.0 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.188 1.395 . . . . 0.0 111.615 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -124.83 131.92 53.39 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 120.064 1.302 . . . . 0.0 110.064 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -133.39 160.88 36.06 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.374 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.15 -171.1 42.9 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -147.86 149.99 33.3 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.617 1.567 . . . . 0.0 107.301 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 t -152.18 166.41 31.8 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -139.78 149.19 43.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 121.645 -0.659 . . . . 0.0 110.172 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 t -145.99 149.45 34.18 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -101.24 105.66 16.79 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -108.37 156.4 19.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.326 1.05 . . . . 0.0 110.169 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -74.27 -39.08 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 123.15 0.58 . . . . 0.0 110.568 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -140.46 164.12 31.0 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 124.318 1.047 . . . . 0.0 108.604 -178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -25.23 68.01 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.131 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.63 -50.13 59.55 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.311 0.96 . . . . 0.0 108.88 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -58.72 -41.2 85.82 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 121.585 -0.697 . . . . 0.0 109.333 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.67 -51.46 67.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.589 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.03 -45.45 75.18 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.246 1.018 . . . . 0.0 111.174 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -65.84 -47.91 73.38 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.377 0.671 . . . . 0.0 110.484 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.5 -47.61 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -62.05 -40.25 95.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.209 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 38.2 mttt -56.91 -48.25 78.66 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.182 0.901 . . . . 0.0 109.281 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -59.95 -41.04 91.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -66.39 -44.84 81.95 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 123.732 0.645 . . . . 0.0 112.026 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.67 72.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 120.583 -1.323 . . . . 0.0 110.794 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -29.43 69.24 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.499 0.72 . . . . 0.0 110.29 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.81 -43.63 92.51 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -79.8 -3.1 46.27 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.374 1.07 . . . . 0.0 110.318 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.13 20.89 63.92 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 125.284 1.421 . . . . 0.0 114.224 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.07 116.25 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.885 1.674 . . . . 0.0 106.795 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -149.47 92.43 1.93 Allowed 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.88 -149.66 6.77 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 124.68 1.133 . . . . 0.0 111.294 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -83.32 113.88 21.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.306 1.442 . . . . 0.0 107.799 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.45 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 55.4 m95 -85.91 137.92 32.39 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 123.532 0.733 . . . . 0.0 109.83 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 p -129.29 177.98 6.77 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.398 1.879 . . . . 0.0 109.001 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -155.44 142.55 19.23 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 120.482 -1.386 . . . . 0.0 109.461 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -129.74 80.93 1.99 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -54.81 -34.19 62.47 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.234 1.014 . . . . 0.0 110.86 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.01 8.25 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 127.601 2.36 . . . . 0.0 112.211 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.7 t -135.23 18.37 3.41 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.423 1.489 . . . . 0.0 110.573 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttt 44.3 49.15 7.97 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 125.233 1.413 . . . . 0.0 111.555 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.2 m -131.13 138.58 49.55 Favored 'General case' 0 C--O 1.227 -0.105 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -110.32 152.42 26.21 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.0 m -135.27 118.51 16.62 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.0 p -103.07 110.9 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.0 m -106.57 107.72 18.88 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 123.848 0.717 . . . . 0.0 110.265 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.091 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.34 173.78 13.46 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 125.777 1.656 . . . . 0.0 109.397 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.0 m -88.67 136.22 33.11 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -114.0 153.18 29.8 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HZ3' HD11 ' A' ' 7' ' ' ILE . 2.2 tmmt? -130.28 145.75 51.8 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 124.643 1.177 . . . . 0.0 109.299 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.6 tp -120.31 143.94 48.09 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.404 HD11 ' HZ3' ' A' ' 5' ' ' LYS . 43.4 mt -125.7 103.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 178.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.9 mt -82.42 107.13 14.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -109.96 73.47 0.84 Allowed 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.809 1.244 . . . . 0.0 109.125 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -95.35 150.26 19.61 Favored Glycine 0 N--CA 1.443 -0.893 0 O-C-N 121.295 -0.878 . . . . 0.0 111.714 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -7.78 53.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.545 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.5 p -122.17 -39.92 2.54 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.841 1.257 . . . . 0.0 111.445 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.55 153.58 51.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.662 1.585 . . . . 0.0 107.336 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -140.34 160.64 39.53 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.269 1.427 . . . . 0.0 107.215 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.93 177.2 48.4 Favored Glycine 0 CA--C 1.52 0.406 0 O-C-N 121.194 -0.941 . . . . 0.0 112.613 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -143.98 147.99 34.67 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -155.63 161.12 40.86 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 p -135.28 144.34 46.73 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.842 1.257 . . . . 0.0 109.203 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 t -146.93 152.54 38.83 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.197 1.399 . . . . 0.0 107.371 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -100.31 124.15 45.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.06 148.07 48.68 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 122.268 1.033 . . . . 0.0 111.705 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -67.39 -39.58 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.828 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -145.36 169.39 18.37 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.736 1.614 . . . . 0.0 108.205 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -30.96 70.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.291 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.08 -48.79 69.79 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 119.224 0.92 . . . . 0.0 109.952 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.6 m -59.5 -43.05 93.43 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 120.155 1.343 . . . . 0.0 107.821 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.67 -51.13 70.79 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 111.606 0.224 . . . . 0.0 111.606 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.03 -42.75 99.05 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.264 1.426 . . . . 0.0 111.083 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -65.62 -50.16 66.07 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.823 0.738 . . . . 0.0 109.975 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -57.81 -47.59 85.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.9 m-30 -66.4 -39.75 89.2 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 116.988 -1.482 . . . . 0.0 110.947 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 10.6 mttp -57.03 -47.4 81.0 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 120.712 1.597 . . . . 0.0 109.693 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.478 HE21 ' ND2' ' A' ' 36' ' ' ASN . 14.9 tp60 -61.82 -42.54 99.15 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -66.6 -41.18 88.84 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.176 0.512 . . . . 0.0 111.074 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.05 -45.93 83.32 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.036 -1.665 . . . . 0.0 109.446 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.478 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.3 -31.93 69.59 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.585 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.52 -42.99 98.45 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 123.627 0.771 . . . . 0.0 109.139 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -79.84 -4.53 52.57 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.505 1.122 . . . . 0.0 109.97 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.81 43.96 40.16 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 125.661 1.6 . . . . 0.0 110.916 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -124.28 120.34 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 C-N-CA 125.634 1.573 . . . . 0.0 108.282 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -159.18 98.33 1.43 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.4 -137.35 3.78 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.195 0.902 . . . . 0.0 111.765 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -83.54 111.33 18.98 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.785 0.834 . . . . 0.0 109.041 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.471 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 57.9 m95 -87.48 136.81 32.79 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.014 0.926 . . . . 0.0 110.023 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.1 p -126.08 171.48 10.8 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.058 2.143 . . . . 0.0 110.07 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -144.11 142.91 30.87 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 119.6 1.091 . . . . 0.0 109.291 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -133.69 84.51 2.13 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 126.67 1.988 . . . . 0.0 106.674 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.95 -28.6 64.47 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.69 0.796 . . . . 0.0 111.951 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.22 -28.37 18.26 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.621 1.568 . . . . 0.0 112.52 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 t -134.44 6.36 3.53 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.211 1.404 . . . . 0.0 110.178 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp 52.42 51.71 15.63 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 127.288 2.235 . . . . 0.0 109.473 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.8 m -120.85 156.26 32.35 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.439 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -127.68 147.02 50.38 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.065 2.146 . . . . 0.0 106.706 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.5 m -135.33 134.53 39.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 p -117.08 109.97 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.14 96.0 9.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 3.1 tt0 . . . . . 0 C--O 1.25 1.086 0 C-N-CA 124.767 1.227 . . . . 0.0 110.634 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 5.3 ttt . . . . . 0 N--CA 1.468 0.463 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.79 -177.87 18.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 125.262 1.411 . . . . 0.0 110.026 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -83.28 117.29 22.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.538 ' CE2' ' HE3' ' A' ' 51' ' ' LYS . 60.2 m-85 -98.91 160.79 14.02 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -133.59 147.03 51.48 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 124.881 1.272 . . . . 0.0 111.09 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.6 tp -123.02 138.48 54.68 Favored 'General case' 0 CA--C 1.511 -0.551 0 C-N-CA 124.613 1.165 . . . . 0.0 108.454 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.2 mt -119.41 106.22 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.9 mt -86.56 105.01 16.54 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -108.19 73.16 0.87 Allowed 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.59 155.87 29.8 Favored Glycine 0 N--CA 1.442 -0.904 0 O-C-N 120.212 -1.555 . . . . 0.0 110.508 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -24.14 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.4 p -111.67 -49.98 2.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.552 1.141 . . . . 0.0 110.244 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 tp -125.48 132.71 52.62 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 119.3 0.955 . . . . 0.0 111.103 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 154.2 34.2 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.14 -177.43 44.21 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -147.48 152.17 37.6 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.62 1.168 . . . . 0.0 108.648 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 t -152.86 165.83 34.21 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.404 1.082 . . . . 0.0 108.311 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 p -140.1 147.79 40.76 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.336 1.054 . . . . 0.0 108.217 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.65 147.31 30.9 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 177.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -95.92 105.85 17.92 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 105.205 -2.146 . . . . 0.0 105.205 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -108.92 152.11 25.37 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.758 0.823 . . . . 0.0 109.242 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.0 p -73.89 -39.64 52.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 123.783 0.833 . . . . 0.0 110.492 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -145.49 170.2 16.86 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.79 1.236 . . . . 0.0 109.772 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.42 -30.14 71.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 117.421 -1.276 . . . . 0.0 112.191 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.44 -50.0 61.2 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.953 1.251 . . . . 0.0 107.904 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -56.66 -43.25 80.17 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 121.94 -0.475 . . . . 0.0 109.818 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.93 -51.29 67.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.487 0.715 . . . . 0.0 110.752 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -53.24 -47.19 69.22 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.177 1.391 . . . . 0.0 110.642 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -66.51 -47.75 71.98 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 123.663 0.785 . . . . 0.0 111.372 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.65 -48.21 89.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -61.67 -41.21 97.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.939 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 10.2 mttt -57.17 -49.7 75.13 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 119.628 1.104 . . . . 0.0 109.971 178.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -60.55 -41.44 94.54 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.115 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -67.96 -46.06 72.47 Favored 'General case' 0 C--O 1.222 -0.362 0 O-C-N 123.851 0.719 . . . . 0.0 111.275 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.0 -47.2 84.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.81 -1.181 . . . . 0.0 110.8 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -30.34 71.48 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 123.435 0.459 . . . . 0.0 110.735 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.78 -36.64 84.96 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.04 0.936 . . . . 0.0 109.283 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -83.83 -5.0 59.11 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.857 1.263 . . . . 0.0 110.3 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.32 26.0 34.81 Favored Glycine 0 C--N 1.338 0.681 0 C-N-CA 124.974 1.273 . . . . 0.0 113.028 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.9 t -113.06 116.73 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 125.137 1.375 . . . . 0.0 109.667 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -155.08 95.9 1.78 Allowed 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.99 -137.69 3.78 Favored Glycine 0 CA--C 1.511 -0.212 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.562 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -84.41 113.91 21.52 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.441 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 55.6 m95 -89.65 141.62 28.43 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.599 0.76 . . . . 0.0 109.676 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 p -128.19 -176.98 3.97 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.719 1.608 . . . . 0.0 108.487 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -159.71 141.19 12.85 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.668 -1.27 . . . . 0.0 109.681 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -132.11 80.2 1.9 Allowed 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 127.882 2.473 . . . . 0.0 105.581 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.49 -29.35 66.18 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.834 -0.542 . . . . 0.0 111.487 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.97 -28.91 10.9 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.828 2.051 . . . . 0.0 111.147 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 t -136.4 20.26 3.15 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.6 1.96 . . . . 0.0 110.019 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.538 ' HE3' ' CE2' ' A' ' 4' ' ' TYR . 22.1 mtpp 37.77 55.6 1.55 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 128.609 2.763 . . . . 0.0 111.436 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -127.04 140.33 52.37 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -112.63 151.26 30.33 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 104.353 -2.462 . . . . 0.0 104.353 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.2 m -135.11 115.21 13.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 p -102.95 112.08 35.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 C-N-CA 124.084 0.954 . . . . 0.0 108.586 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 m -103.23 100.6 10.51 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 . . . . . 0 C--O 1.247 0.938 0 C-N-CA 127.411 2.284 . . . . 0.0 112.593 -178.031 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ttt . . . . . 0 N--CA 1.469 0.489 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.99 -175.77 19.9 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 125.315 1.436 . . . . 0.0 109.822 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 m -91.31 140.81 29.42 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 114.054 -1.073 . . . . 0.0 109.66 -178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -121.5 152.77 38.78 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.169 1.788 . . . . 0.0 107.352 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -130.56 145.64 51.92 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 125.684 1.594 . . . . 0.0 109.346 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.0 tp -122.79 138.32 54.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -123.05 102.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.16 104.33 12.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -105.95 74.05 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.673 1.589 . . . . 0.0 110.043 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.72 156.37 22.48 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-O 123.755 1.753 . . . . 0.0 114.628 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -77.25 -13.67 59.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 113.733 -1.234 . . . . 0.0 109.854 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.1 t -127.93 -37.27 1.93 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -135.73 145.72 46.94 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -139.86 161.13 38.31 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.611 1.096 . . . . 0.0 109.967 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.94 179.24 48.91 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 119.093 0.861 . . . . 0.0 111.575 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -148.03 149.31 31.88 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.444 0.698 . . . . 0.0 110.054 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 t -153.31 159.09 42.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.492 1.117 . . . . 0.0 108.494 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.47 139.5 51.58 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 126.229 1.812 . . . . 0.0 106.626 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.34 152.02 38.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -101.84 126.75 48.79 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.15 151.58 50.52 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.207 1.003 . . . . 0.0 110.457 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 m -68.12 -40.93 83.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.372 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -144.48 170.66 15.62 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 126.157 1.783 . . . . 0.0 109.42 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.35 75.26 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.855 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.55 -47.89 74.29 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 119.295 0.952 . . . . 0.0 110.051 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.0 m -58.24 -45.58 87.51 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.72 -50.65 73.12 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.076 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.51 -39.35 90.66 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.706 1.202 . . . . 0.0 111.383 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -66.64 -50.37 63.19 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.404 1.002 . . . . 0.0 109.346 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.19 -51.18 72.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -64.23 -40.33 95.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.542 -1.218 . . . . 0.0 111.674 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 9.2 mttt -57.01 -48.12 79.24 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 120.318 1.417 . . . . 0.0 109.027 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.5 HE21 ' ND2' ' A' ' 36' ' ' ASN . 10.1 tp60 -62.15 -41.64 98.48 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -61.19 -47.03 88.02 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.797 0.808 . . . . 0.0 111.06 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.64 72.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.059 -1.026 . . . . 0.0 110.934 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.5 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.08 -31.86 69.27 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.703 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.88 -35.07 79.62 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 118.475 0.579 . . . . 0.0 109.72 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -85.45 -2.38 58.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.258 1.423 . . . . 0.0 109.526 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.71 36.54 53.24 Favored Glycine 0 C--N 1.338 0.64 0 C-N-CA 125.165 1.364 . . . . 0.0 111.349 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -115.35 122.21 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -152.31 103.27 2.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.92 -156.73 6.93 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 124.776 1.179 . . . . 0.0 112.391 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -74.97 113.45 12.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.459 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 62.9 m95 -87.66 132.35 34.13 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.979 0.912 . . . . 0.0 110.083 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 p -123.64 169.76 11.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.624 1.97 . . . . 0.0 109.334 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -147.72 147.35 29.83 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 119.75 1.159 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -139.12 91.73 2.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 126.275 1.83 . . . . 0.0 106.668 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.69 -32.13 70.22 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.336 -0.852 . . . . 0.0 111.754 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.9 -24.59 9.53 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.141 1.776 . . . . 0.0 113.376 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.7 t -134.77 2.76 3.19 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.695 1.598 . . . . 0.0 110.45 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.2 mttm 49.19 58.34 5.49 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 128.413 2.685 . . . . 0.0 109.65 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.8 m -127.8 150.2 49.93 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.611 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -122.34 141.39 51.6 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 127.372 2.269 . . . . 0.0 106.014 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.2 m -131.46 130.32 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.91 109.52 28.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 98.69 11.52 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.249 1.056 0 C-N-CA 126.59 1.956 . . . . 0.0 112.589 -179.529 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 ttt . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.93 -179.05 17.68 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 128.388 2.899 . . . . 0.0 110.941 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.3 m -83.24 137.08 34.16 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -116.48 157.8 24.6 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 125.836 1.654 . . . . 0.0 107.01 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -132.98 145.5 50.93 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.647 1.179 . . . . 0.0 109.779 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.8 tp -122.06 142.29 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 mt -127.29 102.13 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.5 mt -81.19 105.1 12.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -108.43 74.56 0.93 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.278 1.031 . . . . 0.0 108.629 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.77 152.91 20.48 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-O 123.074 1.374 . . . . 0.0 113.975 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -63.83 -22.33 66.86 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.967 1.307 . . . . 0.0 110.988 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.0 t -117.93 -36.68 3.57 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.662 1.185 . . . . 0.0 113.034 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.9 tp -135.96 153.04 51.53 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 118.044 -0.979 . . . . 0.0 108.748 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.17 153.62 45.44 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.99 -179.65 44.76 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 123.676 0.655 . . . . 0.0 111.476 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -146.03 157.75 43.87 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.429 1.092 . . . . 0.0 109.782 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.5 t -159.93 163.69 34.02 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.936 1.694 . . . . 0.0 108.373 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 p -138.62 141.86 39.12 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.263 1.425 . . . . 0.0 107.998 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 t -146.9 152.36 38.57 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.629 1.172 . . . . 0.0 108.27 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -98.94 116.87 32.16 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.18 151.58 38.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.202 1.001 . . . . 0.0 109.942 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.9 p -67.24 -39.56 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 123.707 0.803 . . . . 0.0 112.021 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -148.39 164.34 34.41 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.849 1.26 . . . . 0.0 108.366 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -33.15 72.06 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.958 0.903 . . . . 0.0 111.322 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.13 95.16 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 m -66.33 -44.57 82.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 123.788 0.835 . . . . 0.0 109.032 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.61 -47.58 73.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.441 0.696 . . . . 0.0 110.083 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -59.53 -42.73 92.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.86 0.864 . . . . 0.0 111.555 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -63.67 -50.3 69.79 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.136 0.88 . . . . 0.0 110.032 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.0 t -55.91 -51.07 64.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -63.52 -38.38 90.92 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 117.34 -1.314 . . . . 0.0 111.722 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 2.5 mttt -56.87 -48.02 79.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 120.684 1.583 . . . . 0.0 108.693 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.514 HE21 ' ND2' ' A' ' 36' ' ' ASN . 13.6 tp60 -61.48 -42.77 99.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -62.48 -40.87 98.05 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.453 0.644 . . . . 0.0 111.172 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.15 74.21 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 120.703 -1.248 . . . . 0.0 109.238 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.514 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.95 -30.0 68.78 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.504 0.722 . . . . 0.0 109.551 178.218 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.51 -38.26 89.17 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.847 0.859 . . . . 0.0 109.213 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -86.82 -2.65 58.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.831 1.652 . . . . 0.0 110.48 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.79 39.38 65.77 Favored Glycine 0 C--N 1.341 0.84 0 C-N-CA 125.631 1.586 . . . . 0.0 111.507 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.4 t -115.98 121.41 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 124.952 1.301 . . . . 0.0 109.108 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -150.5 100.8 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -139.66 -148.27 5.19 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 125.818 1.675 . . . . 0.0 112.463 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -79.52 114.54 18.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.442 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 58.3 m95 -89.85 132.55 35.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.9 p -121.69 172.38 8.18 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.528 1.931 . . . . 0.0 110.01 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -146.42 138.82 25.14 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.894 -1.129 . . . . 0.0 109.072 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.63 83.22 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 127.529 2.332 . . . . 0.0 106.072 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -56.1 -27.94 55.81 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.416 1.086 . . . . 0.0 112.58 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.09 -29.12 60.14 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.671 1.589 . . . . 0.0 111.804 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.2 t -135.55 16.59 3.37 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.357 1.463 . . . . 0.0 109.48 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt 41.1 46.5 2.58 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 128.041 2.536 . . . . 0.0 110.831 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.6 m -109.07 155.32 21.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.025 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -126.42 140.57 52.38 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.777 2.431 . . . . 0.0 106.087 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.0 m -131.17 132.75 44.95 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -115.9 109.2 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.19 97.06 10.4 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 1.5 tt0 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.249 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 11.3 ttt . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.52 -175.3 20.01 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 125.792 1.663 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m -75.16 137.39 41.29 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 124.291 1.037 . . . . 0.0 110.785 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.414 ' CE1' ' HE3' ' A' ' 51' ' ' LYS . 76.6 m-85 -124.69 157.32 35.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.843 2.057 . . . . 0.0 107.28 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -135.62 146.18 47.63 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.183 1.393 . . . . 0.0 110.193 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.07 139.84 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.4 mt -124.79 103.66 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -83.52 105.1 14.18 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -105.08 73.88 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.7 152.5 21.12 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -64.28 -14.77 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.372 1.469 . . . . 0.0 113.296 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.8 p -142.65 -19.36 0.68 Allowed 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.394 1.477 . . . . 0.0 112.972 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -135.55 132.99 37.91 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 123.664 0.786 . . . . 0.0 109.611 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -139.29 160.3 40.14 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.182 0.515 . . . . 0.0 109.755 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.11 166.55 34.71 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.683 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -133.29 126.46 31.51 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 121.793 -0.828 . . . . 0.0 109.107 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -128.79 164.64 22.59 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.179 1.391 . . . . 0.0 109.044 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 p -145.98 138.64 25.61 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 123.721 0.809 . . . . 0.0 110.099 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.0 t -146.81 151.03 36.46 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.5 128.26 36.48 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -124.21 153.01 42.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.3 m -68.09 -37.66 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 123.532 0.733 . . . . 0.0 110.495 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -150.24 163.82 37.29 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.73 -27.57 69.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.288 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.92 68.56 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 m -62.51 -43.16 99.48 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.085 1.354 . . . . 0.0 109.356 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.59 -49.42 74.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.285 0.564 . . . . 0.0 109.767 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.46 -41.39 94.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 123.485 0.714 . . . . 0.0 111.44 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -64.43 -48.72 74.26 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.52 -0.737 . . . . 0.0 110.883 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.25 -54.77 30.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -58.69 -38.93 79.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.76 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 7.0 mttp -58.7 -49.87 76.0 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.867 1.212 . . . . 0.0 108.753 178.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -57.84 -41.65 82.76 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -67.43 -45.47 76.0 Favored 'General case' 0 C--O 1.226 -0.134 0 O-C-N 123.415 0.447 . . . . 0.0 111.415 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.26 85.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.028 -1.045 . . . . 0.0 109.485 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -31.11 70.94 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.121 0.568 . . . . 0.0 109.653 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.65 -33.0 74.91 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -91.34 -5.86 53.93 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.386 1.474 . . . . 0.0 110.623 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.76 27.96 48.61 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.851 1.691 . . . . 0.0 112.975 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.5 t -101.74 121.16 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 124.619 1.167 . . . . 0.0 108.407 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -149.91 101.41 3.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.59 -154.8 6.7 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 125.105 1.336 . . . . 0.0 111.946 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -85.69 115.79 23.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.411 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 62.5 m95 -88.83 136.12 33.17 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.771 0.828 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 p -122.57 167.59 13.2 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.803 1.641 . . . . 0.0 107.551 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -149.67 130.17 13.92 Favored 'General case' 0 CA--C 1.518 -0.255 0 O-C-N 121.095 -1.003 . . . . 0.0 109.509 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -117.61 91.85 3.68 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.499 1.92 . . . . 0.0 106.3 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -57.77 -36.06 71.63 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.006 0.922 . . . . 0.0 111.205 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.84 -35.11 30.74 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.974 1.31 . . . . 0.0 112.374 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 t -121.38 2.96 10.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.979 1.312 . . . . 0.0 111.766 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.414 ' HE3' ' CE1' ' A' ' 4' ' ' TYR . 17.0 mtpp 47.19 59.99 3.72 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.395 1.878 . . . . 0.0 108.009 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.6 m -134.55 139.62 45.53 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.152 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -112.68 148.5 34.55 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.1 m -133.13 126.17 31.13 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 p -111.15 116.34 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 105.825 -1.916 . . . . 0.0 105.825 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.34 100.96 10.53 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.251 1.144 0 C-N-CA 125.084 1.354 . . . . 0.0 110.13 -179.101 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 ttt . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.45 -176.92 18.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 125.426 1.489 . . . . 0.0 111.281 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.2 m -83.1 128.42 34.47 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -113.91 144.33 43.23 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.881 1.672 . . . . 0.0 108.026 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -116.87 145.98 43.22 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 124.641 1.176 . . . . 0.0 109.296 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.3 tp -125.78 129.76 50.09 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt -114.75 109.95 30.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.465 1.506 . . . . 0.0 107.064 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.89 105.27 16.95 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -104.22 74.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.28 143.97 17.05 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-O 122.275 0.93 . . . . 0.0 112.058 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -69.94 -18.08 63.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.166 0.586 . . . . 0.0 110.026 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 p -102.49 -55.35 2.47 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 127.226 2.21 . . . . 0.0 109.712 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.0 tp -136.47 144.22 44.25 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 122.61 0.364 . . . . 0.0 111.904 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -129.27 151.86 49.47 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.627 0.771 . . . . 0.0 109.192 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.67 173.3 45.76 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -137.52 156.79 47.72 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.316 1.047 . . . . 0.0 109.908 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 t -153.65 162.21 41.46 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.577 1.951 . . . . 0.0 107.309 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 p -136.77 136.85 39.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.05 151.04 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 119.493 1.042 . . . . 0.0 108.81 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -97.47 125.61 42.24 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.726 -1.954 . . . . 0.0 105.726 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.5 153.13 45.55 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 p -68.22 -35.57 71.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-O 119.179 -0.438 . . . . 0.0 111.351 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -153.24 174.68 13.96 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 125.289 1.436 . . . . 0.0 109.082 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -22.94 67.18 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.664 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.07 -50.51 19.3 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 119.84 1.2 . . . . 0.0 109.387 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.441 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 88.4 m -57.76 -41.97 83.06 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.07 70.78 Favored 'General case' 0 N--CA 1.439 -1.0 0 O-C-N 123.389 0.431 . . . . 0.0 111.802 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.99 -39.95 91.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 50.9 mtmt -66.58 -50.0 64.5 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.301 0.641 . . . . 0.0 110.285 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.0 t -57.66 -56.8 13.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -56.53 -40.19 74.67 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-O 118.05 -0.976 . . . . 0.0 112.84 178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 2.9 mttp -55.59 -48.33 75.03 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 118.722 0.692 . . . . 0.0 109.681 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.55 HE21 ' ND2' ' A' ' 36' ' ' ASN . 12.7 tp60 -62.26 -41.43 98.44 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -62.34 -40.4 96.23 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-O 121.769 0.795 . . . . 0.0 111.074 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.03 -45.43 70.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 120.384 -1.448 . . . . 0.0 109.502 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.55 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.31 -32.82 68.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.345 0.658 . . . . 0.0 109.361 178.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.86 -40.98 99.16 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.353 1.061 . . . . 0.0 109.346 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -83.87 -2.49 56.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.497 1.119 . . . . 0.0 110.894 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.12 41.89 59.5 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 125.175 1.369 . . . . 0.0 111.159 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.2 t -116.42 122.54 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -154.5 95.96 1.85 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.98 -138.2 3.33 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.528 1.061 . . . . 0.0 113.235 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -84.94 110.73 19.09 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.163 0.985 . . . . 0.0 111.566 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.451 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.6 m95 -85.6 136.69 33.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.806 1.242 . . . . 0.0 109.44 178.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.4 p -129.49 172.11 11.88 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.842 2.057 . . . . 0.0 110.51 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -149.23 145.52 27.15 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.738 1.154 . . . . 0.0 109.029 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -137.08 94.48 2.96 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 126.688 1.995 . . . . 0.0 106.081 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -63.21 -26.42 68.79 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.143 0.977 . . . . 0.0 112.673 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.29 -22.44 64.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.382 1.473 . . . . 0.0 113.063 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 t -135.24 10.75 3.53 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.642 1.977 . . . . 0.0 109.45 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt 38.77 52.77 1.92 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 128.29 2.636 . . . . 0.0 110.163 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.2 m -120.37 148.1 44.19 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.347 0.659 . . . . 0.0 110.987 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -119.28 140.35 50.42 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 127.642 2.377 . . . . 0.0 105.773 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.5 m -133.54 135.71 44.54 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -116.24 111.88 37.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.03 103.23 15.14 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 123.741 0.816 . . . . 0.0 110.271 179.267 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 10.8 ttt . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 120.462 0.172 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.73 -177.12 19.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 124.582 1.087 . . . . 0.0 112.156 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -77.82 139.36 39.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.766 0.827 . . . . 0.0 112.029 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -126.86 160.09 31.99 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 127.609 2.364 . . . . 0.0 109.452 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -133.48 146.1 50.8 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.778 1.631 . . . . 0.0 109.691 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 tp -126.84 136.22 52.05 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.1 mt -121.12 107.14 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 105.284 -2.117 . . . . 0.0 105.284 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.7 mt -84.69 105.86 15.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -109.08 74.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.26 150.64 19.68 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-O 122.298 0.943 . . . . 0.0 112.458 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -65.27 -20.43 66.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.653 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.0 p -125.72 -25.34 3.68 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 120.079 1.309 . . . . 0.0 112.032 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 tt -135.18 133.23 38.88 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 119.876 1.216 . . . . 0.0 108.872 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -132.83 154.28 50.47 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.09 178.68 48.2 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -143.77 133.51 23.78 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.391 1.076 . . . . 0.0 110.09 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.7 t -137.73 162.49 33.75 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.061 0.945 . . . . 0.0 109.131 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 p -141.75 137.52 31.69 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 125.91 1.684 . . . . 0.0 108.186 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 t -147.01 152.66 38.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.663 0.785 . . . . 0.0 109.613 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -93.13 122.7 35.78 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -117.16 149.56 40.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.716 0.807 . . . . 0.0 110.278 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m -67.91 -34.58 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 125.959 1.704 . . . . 0.0 111.632 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -158.07 164.04 37.08 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 126.83 2.052 . . . . 0.0 106.921 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.67 -28.77 70.13 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.58 0.752 . . . . 0.0 112.937 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.1 81.28 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.491 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 22.4 m -69.81 -34.84 74.25 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.43 73.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.82 -42.75 99.86 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.886 1.674 . . . . 0.0 110.191 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 44.9 mtmt -62.77 -48.14 80.44 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 120.923 -1.111 . . . . 0.0 110.309 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.6 t -61.55 -54.06 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -60.08 -39.73 87.08 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 117.365 -1.303 . . . . 0.0 111.298 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.51 -47.9 82.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.457 1.48 . . . . 0.0 108.98 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -58.81 -43.1 90.48 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -67.7 -47.88 68.14 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.645 0.59 . . . . 0.0 112.149 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.95 92.6 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.581 -0.7 . . . . 0.0 110.166 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -32.42 73.91 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.12 -32.26 73.6 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -88.81 -6.07 57.62 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.291 1.036 . . . . 0.0 110.572 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.13 28.26 41.74 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 126.01 1.767 . . . . 0.0 113.224 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -106.46 121.14 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -147.97 104.29 3.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -142.08 -148.66 5.05 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.916 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -84.33 114.38 21.82 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -87.99 131.29 34.68 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.4 p -118.65 174.08 6.48 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 125.251 1.42 . . . . 0.0 109.007 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -150.01 134.56 17.46 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.366 -0.834 . . . . 0.0 109.988 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -122.53 86.48 2.59 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 128.961 2.904 . . . . 0.0 105.599 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.1 -39.28 66.23 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.661 1.184 . . . . 0.0 111.75 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.03 13.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.549 1.54 . . . . 0.0 113.639 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 t -129.39 13.12 6.04 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.576 1.15 . . . . 0.0 111.141 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt 43.7 56.11 4.7 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 125.367 1.467 . . . . 0.0 108.984 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 78.5 m -128.46 142.23 51.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.365 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -118.39 150.58 39.29 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 104.447 -2.427 . . . . 0.0 104.447 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.1 m -134.67 138.21 44.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.82 107.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 103.15 15.13 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 105.138 -2.171 . . . . 0.0 105.138 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.412 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 15.9 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 124.357 1.063 . . . . 0.0 111.451 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttt . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 118.76 -0.638 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.74 175.22 13.83 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 125.592 1.568 . . . . 0.0 111.862 -179.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 m -84.31 129.3 34.89 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 124.364 1.066 . . . . 0.0 111.668 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -113.25 154.45 26.75 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.576 1.15 . . . . 0.0 108.986 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -130.64 143.83 51.02 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.864 1.266 . . . . 0.0 107.632 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.1 tp -119.32 141.21 49.21 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mt -125.22 109.96 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.8 mt -86.57 105.13 16.63 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -103.24 73.43 1.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 103.255 -2.868 . . . . 0.0 103.255 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.65 141.03 15.39 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -63.34 -18.41 63.61 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.89 0.876 . . . . 0.0 111.416 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.2 p -121.45 -34.31 3.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 118.832 -0.604 . . . . 0.0 111.761 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -136.45 130.61 32.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 125.119 1.367 . . . . 0.0 110.078 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -122.53 160.57 25.35 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.74 178.49 48.48 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -147.29 148.7 31.69 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.93 1.292 . . . . 0.0 109.268 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.2 t -151.39 164.12 37.42 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 125.475 1.51 . . . . 0.0 107.027 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -138.87 140.3 38.4 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.082 1.353 . . . . 0.0 108.283 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -146.89 151.28 36.79 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.87 114.97 29.29 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.36 156.09 30.73 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.401 0.62 . . . . 0.0 110.465 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.92 -36.28 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 118.38 -0.819 . . . . 0.0 112.086 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -154.13 166.47 33.0 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.48 -29.56 70.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.534 0.733 . . . . 0.0 111.33 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.83 -45.9 87.47 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.762 0.71 . . . . 0.0 109.971 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 m -67.1 -43.58 82.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -47.76 76.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.156 0.582 . . . . 0.0 110.709 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -56.82 -45.35 82.36 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.243 1.417 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -66.81 -49.98 64.07 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.189 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 t -54.22 -52.78 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -63.35 -40.45 97.31 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 117.203 -1.379 . . . . 0.0 111.237 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.484 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 1.4 mmtt -55.94 -47.48 77.48 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 120.993 1.724 . . . . 0.0 109.132 178.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.432 HE21 ' ND2' ' A' ' 36' ' ' ASN . 29.6 tp60 -61.06 -44.86 96.76 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -63.69 -42.37 98.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.357 0.598 . . . . 0.0 110.927 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.39 -45.56 75.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 120.352 -1.468 . . . . 0.0 109.779 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.432 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.43 -32.03 68.3 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.184 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.85 -43.04 89.64 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 121.546 0.689 . . . . 0.0 109.191 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -77.96 -5.81 52.4 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.168 0.987 . . . . 0.0 110.237 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.61 36.91 53.22 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 125.387 1.47 . . . . 0.0 111.266 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.84 121.43 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 125.59 1.556 . . . . 0.0 106.89 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -156.13 105.01 2.3 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.69 -142.84 4.15 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 124.121 0.867 . . . . 0.0 111.266 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -81.73 115.25 20.88 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.484 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 51.1 m95 -87.55 132.76 33.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.6 p -123.92 171.77 9.44 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 126.486 1.914 . . . . 0.0 110.028 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -151.19 146.31 26.01 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 120.74 -1.225 . . . . 0.0 109.838 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -140.59 93.43 2.61 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.13 -29.04 65.22 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.357 1.463 . . . . 0.0 111.436 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.69 -30.2 13.13 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 127.023 2.129 . . . . 0.0 111.864 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.3 t -135.64 15.65 3.38 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.928 1.291 . . . . 0.0 108.553 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm 41.65 51.77 3.94 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 126.365 1.866 . . . . 0.0 109.185 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -117.02 149.79 39.69 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.893 -0.504 . . . . 0.0 109.945 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -124.09 142.38 51.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.231 2.213 . . . . 0.0 106.245 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -134.0 137.23 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.82 111.51 35.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.38 96.07 7.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 . . . . . 0 C--O 1.248 0.984 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.068 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.483 ' CG ' ' H ' ' A' ' 2' ' ' GLY . 8.0 ttt . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.483 ' H ' ' CG ' ' A' ' 1' ' ' MET . . . 117.99 168.1 14.33 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 126.121 1.82 . . . . 0.0 111.763 178.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 m -85.43 113.5 21.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 104.143 -2.539 . . . . 0.0 104.143 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -92.98 164.28 13.35 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -133.96 146.5 50.52 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 124.71 1.204 . . . . 0.0 111.374 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -122.89 137.88 54.82 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 125.123 1.369 . . . . 0.0 108.294 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 mt -119.63 100.3 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.0 mt -79.05 107.49 11.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 104.2 -2.518 . . . . 0.0 104.2 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -111.34 74.94 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.77 147.14 18.51 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-O 121.783 0.657 . . . . 0.0 112.606 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -60.49 -27.13 67.33 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 124.99 1.316 . . . . 0.0 110.412 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -110.67 -45.74 3.47 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 124.502 1.121 . . . . 0.0 110.185 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 tp -135.3 127.8 30.59 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 119.714 1.143 . . . . 0.0 112.24 -178.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 156.78 24.49 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.231 1.413 . . . . 0.0 109.275 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.95 170.02 40.98 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 124.006 0.812 . . . . 0.0 111.847 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.61 139.86 49.26 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.43 1.492 . . . . 0.0 108.622 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 t -147.12 166.01 28.23 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.019 1.328 . . . . 0.0 108.362 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -141.44 150.45 42.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.515 1.126 . . . . 0.0 109.512 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -145.93 146.84 31.21 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -91.79 110.74 22.08 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 103.516 -2.772 . . . . 0.0 103.516 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -115.16 141.18 48.37 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -179.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.53 -34.65 69.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.093 0.957 . . . . 0.0 110.544 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -142.76 162.92 34.19 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.331 1.452 . . . . 0.0 107.77 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.27 -23.96 67.18 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 119.19 -0.433 . . . . 0.0 110.272 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.73 -50.92 54.83 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.436 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 4.6 m -58.66 -40.53 83.74 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.813 0.845 . . . . 0.0 109.11 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.94 -51.74 66.88 Favored 'General case' 0 C--N 1.343 0.314 0 O-C-N 123.664 0.602 . . . . 0.0 110.162 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -51.78 -47.73 64.09 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 125.125 1.37 . . . . 0.0 111.168 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 51.4 mtmt -65.77 -49.86 66.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 124.739 1.215 . . . . 0.0 111.178 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.81 -46.32 87.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -62.81 -40.57 97.78 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 117.684 -1.15 . . . . 0.0 111.118 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -58.67 -48.88 79.57 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 119.999 1.272 . . . . 0.0 109.615 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -57.83 -42.02 83.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.45 -50.39 71.63 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 124.147 0.905 . . . . 0.0 111.215 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.34 77.83 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.201 -0.937 . . . . 0.0 111.981 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -31.4 69.95 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.543 0.737 . . . . 0.0 110.287 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.1 -31.39 72.23 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.844 0.858 . . . . 0.0 109.707 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -95.15 0.65 54.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.126 1.37 . . . . 0.0 111.379 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.14 26.63 52.08 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.713 1.149 . . . . 0.0 114.151 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 t -108.56 118.78 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 125.245 1.418 . . . . 0.0 108.472 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -152.49 84.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.04 -152.69 8.46 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 125.081 1.324 . . . . 0.0 111.563 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -82.39 107.55 15.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.527 1.131 . . . . 0.0 108.809 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -79.4 138.95 37.83 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.57 1.148 . . . . 0.0 109.062 179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.7 p -125.34 -168.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 126.538 1.935 . . . . 0.0 107.768 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -165.09 145.1 7.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.428 1.491 . . . . 0.0 107.364 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -133.82 87.18 2.35 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -56.86 -35.39 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 123.122 0.569 . . . . 0.0 112.141 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.9 -29.63 12.53 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.856 1.662 . . . . 0.0 112.586 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 t -135.62 19.29 3.31 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.993 1.317 . . . . 0.0 109.2 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 34.42 59.48 0.63 Allowed 'General case' 0 C--N 1.347 0.467 0 C-N-CA 128.323 2.649 . . . . 0.0 110.93 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.7 m -126.82 150.62 49.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.659 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -124.01 152.25 42.79 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.071 -2.196 . . . . 0.0 105.071 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -131.65 138.8 48.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.16 107.03 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 103.865 -2.642 . . . . 0.0 103.865 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.35 97.47 9.86 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.756 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.242 0.684 0 N-CA-C 103.219 -2.882 . . . . 0.0 103.219 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.405 ' HG3' ' H ' ' A' ' 2' ' ' GLY . 3.1 ttt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.405 ' H ' ' HG3' ' A' ' 1' ' ' MET . . . 131.01 172.43 13.12 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 125.292 1.425 . . . . 0.0 111.74 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 m -82.61 114.6 21.11 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -92.9 164.32 13.36 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 126.239 1.816 . . . . 0.0 106.81 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -133.57 146.86 51.39 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.453 1.101 . . . . 0.0 111.198 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.6 tp -124.87 141.78 51.89 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.8 mt -124.92 106.22 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 126.05 1.74 . . . . 0.0 107.048 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.3 mt -85.86 105.0 16.04 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -107.36 74.3 0.96 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.28 1.832 . . . . 0.0 106.413 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.67 155.41 18.35 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-O 123.265 1.48 . . . . 0.0 115.587 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -72.93 -13.36 61.24 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.919 1.688 . . . . 0.0 111.294 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.1 p -130.79 -35.11 1.46 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 119.259 0.936 . . . . 0.0 112.868 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -135.69 144.53 46.01 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -142.05 160.5 40.09 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.427 1.091 . . . . 0.0 108.538 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.38 169.28 33.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -130.6 152.01 50.44 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 120.918 -1.342 . . . . 0.0 108.441 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -151.21 165.01 35.27 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -134.16 146.23 49.99 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.39 151.55 38.45 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -101.24 117.72 35.54 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.06 153.63 46.58 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.814 0.816 . . . . 0.0 110.823 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.28 -41.17 86.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.458 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -145.09 161.8 38.57 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 125.417 1.487 . . . . 0.0 108.409 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.5 -33.93 68.54 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.424 0.69 . . . . 0.0 109.277 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.41 93.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.123 0.969 . . . . 0.0 110.867 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 m -75.26 -39.98 59.3 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.37 -44.81 80.53 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.79 -40.0 86.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.345 1.058 . . . . 0.0 111.21 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -66.11 -50.83 62.67 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.256 0.934 . . . . 0.0 109.576 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -57.53 -46.85 86.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.66 0.6 . . . . 0.0 109.473 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -66.13 -40.48 90.7 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 117.679 -1.153 . . . . 0.0 111.168 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.506 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.5 mttt -55.89 -48.46 75.56 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 120.167 1.349 . . . . 0.0 108.442 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.526 HE21 ' ND2' ' A' ' 36' ' ' ASN . 18.8 tp60 -63.31 -42.5 99.03 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.597 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.41 -45.53 93.27 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-O 121.672 0.749 . . . . 0.0 110.434 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.67 -49.32 69.02 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.16 -0.962 . . . . 0.0 110.717 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.526 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.46 -32.49 68.78 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.489 0.716 . . . . 0.0 109.633 178.711 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -66.02 -36.88 84.45 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -84.17 -4.65 58.95 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.336 1.054 . . . . 0.0 109.973 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.89 36.41 41.89 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 124.881 1.229 . . . . 0.0 112.105 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -114.54 125.23 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -156.34 104.59 2.23 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 177.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.22 -155.12 6.69 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 124.843 1.211 . . . . 0.0 110.973 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -78.37 111.78 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.506 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 60.5 m95 -82.56 138.45 34.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.392 1.477 . . . . 0.0 110.048 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.3 p -129.71 172.29 11.77 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.616 1.966 . . . . 0.0 110.472 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -142.39 133.34 25.77 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 120.791 -1.193 . . . . 0.0 109.084 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -123.18 80.52 1.78 Allowed 'General case' 0 C--O 1.236 0.361 0 C-N-CA 127.578 2.351 . . . . 0.0 106.159 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -52.56 -32.86 43.05 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.93 1.292 . . . . 0.0 112.739 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.63 -29.8 11.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.404 2.282 . . . . 0.0 113.011 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.0 t -136.03 17.8 3.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.508 1.923 . . . . 0.0 107.092 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? 36.21 52.28 0.87 Allowed 'General case' 0 C--N 1.35 0.589 0 C-N-CA 128.586 2.754 . . . . 0.0 109.939 -178.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -113.01 157.33 21.66 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 113.881 -1.508 . . . . 0.0 109.596 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -128.34 145.5 51.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.392 2.277 . . . . 0.0 106.915 178.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.6 m -134.74 138.26 44.19 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.1 p -119.92 112.98 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.06 96.05 6.98 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.873 0.368 . . . . 0.0 110.54 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 C--O 1.246 0.887 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 178.238 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 119.892 -0.099 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.01 176.88 14.59 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 125.493 1.521 . . . . 0.0 111.055 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -81.29 114.25 19.95 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -96.9 162.86 13.21 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.689 1.196 . . . . 0.0 107.808 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -137.22 147.86 46.1 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 123.968 0.907 . . . . 0.0 111.298 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.6 tp -129.69 129.87 44.79 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.8 mt -109.95 112.43 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.9 mt -91.71 109.08 20.39 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -110.66 75.09 0.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.414 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -89.86 152.92 22.7 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-O 121.796 0.664 . . . . 0.0 112.538 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -67.03 -22.25 65.89 Favored 'General case' 0 CA--C 1.518 -0.255 0 O-C-N 122.136 -0.626 . . . . 0.0 110.771 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.7 p -119.43 -33.72 4.01 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 117.488 -1.244 . . . . 0.0 111.549 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -135.84 143.13 44.94 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.781 1.173 . . . . 0.0 109.746 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.41 156.53 48.77 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.31 -178.41 44.2 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.406 1.003 . . . . 0.0 111.544 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -143.93 143.67 31.36 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 125.661 1.585 . . . . 0.0 109.093 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 t -147.86 167.49 24.66 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.792 1.237 . . . . 0.0 108.663 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.4 p -144.34 146.62 32.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.463 1.105 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.4 t -146.83 139.04 24.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.096 0.407 . . . . 0.0 110.596 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -89.85 105.88 18.1 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 103.016 -2.957 . . . . 0.0 103.016 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.3 156.25 21.81 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 123.384 0.674 . . . . 0.0 109.534 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.1 p -67.91 -40.77 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.023 0.929 . . . . 0.0 110.886 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.98 166.38 27.89 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.99 0.916 . . . . 0.0 108.691 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.48 -37.87 76.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.951 1.3 . . . . 0.0 111.694 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.15 -49.41 72.23 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.469 0.652 . . . . 0.0 109.531 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -43.11 96.04 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.949 0.9 . . . . 0.0 109.63 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.88 71.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.85 -44.13 77.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.567 1.547 . . . . 0.0 111.411 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.57 -47.23 82.36 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 121.484 -0.76 . . . . 0.0 109.934 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -60.36 -46.72 94.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -63.22 -40.81 98.52 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 117.334 -1.317 . . . . 0.0 111.232 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -59.36 -47.09 86.75 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.051 1.75 . . . . 0.0 109.923 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -59.46 -42.11 91.27 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -67.9 -48.96 64.57 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 124.032 0.933 . . . . 0.0 111.112 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.28 84.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.008 -1.057 . . . . 0.0 109.577 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -32.72 74.27 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -63.48 -26.24 68.63 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.151 0.581 . . . . 0.0 109.96 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -98.14 -2.73 39.29 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.989 1.316 . . . . 0.0 109.724 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.47 33.25 44.11 Favored Glycine 0 C--N 1.338 0.639 0 C-N-CA 126.336 1.922 . . . . 0.0 112.352 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.87 120.93 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 125.286 1.434 . . . . 0.0 107.256 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -149.64 102.4 3.16 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.69 -152.14 5.8 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 123.649 0.642 . . . . 0.0 112.245 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -82.88 114.94 21.53 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -86.14 140.05 30.55 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 122.808 0.443 . . . . 0.0 109.906 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.6 p -127.48 -178.84 4.62 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.706 1.602 . . . . 0.0 109.1 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -155.41 133.86 11.77 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.313 -0.867 . . . . 0.0 109.43 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -119.61 85.98 2.47 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 129.339 3.056 . . . . 0.0 106.731 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -52.87 -37.96 61.05 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.188 1.395 . . . . 0.0 112.021 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.19 -26.96 5.15 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.675 1.99 . . . . 0.0 113.517 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.2 t -135.18 11.02 3.55 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.961 1.704 . . . . 0.0 109.826 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.252 4.6 ptpp? 40.66 58.66 2.34 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.928 2.091 . . . . 0.0 109.312 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.3 m -129.43 140.58 51.27 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.835 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -108.41 152.08 25.16 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.2 m -132.97 136.16 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.9 p -120.79 111.06 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 m -102.54 104.62 15.04 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 16.5 tt0 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 125.624 1.57 . . . . 0.0 109.328 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ttt . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.07 177.96 15.25 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 127.655 2.55 . . . . 0.0 112.139 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -79.25 113.58 17.5 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -92.42 162.84 14.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -133.62 146.7 51.16 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 123.944 0.898 . . . . 0.0 111.251 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -125.67 143.79 50.88 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.218 1.407 . . . . 0.0 108.652 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.6 mt -127.44 109.3 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 126.706 2.002 . . . . 0.0 106.847 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -90.24 105.14 17.61 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -107.59 74.58 0.97 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 124.774 1.23 . . . . 0.0 108.353 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.38 152.02 19.9 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-O 123.186 1.437 . . . . 0.0 114.592 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -75.67 -9.63 58.75 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 126.183 1.793 . . . . 0.0 110.637 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.8 p -116.02 -49.3 2.71 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.775 1.23 . . . . 0.0 109.892 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.7 tp -136.69 158.86 43.46 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 125.546 1.538 . . . . 0.0 108.966 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.63 157.22 46.55 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.65 1.58 . . . . 0.0 107.435 176.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.18 177.16 46.51 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.57 1.081 . . . . 0.0 111.132 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -149.47 152.77 36.21 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.079 0.952 . . . . 0.0 109.759 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.1 t -156.85 171.61 20.1 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.508 1.123 . . . . 0.0 109.476 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 p -137.56 146.48 44.13 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.68 1.992 . . . . 0.0 108.051 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 t -145.79 151.74 38.42 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -99.92 119.33 38.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.61 144.58 51.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.369 0.604 . . . . 0.0 110.197 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.4 p -67.79 -41.42 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 114.509 -1.223 . . . . 0.0 112.16 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -139.88 163.23 33.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.572 1.149 . . . . 0.0 108.293 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.52 -37.28 67.7 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.584 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.89 75.72 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -58.29 -48.59 79.99 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.834 1.654 . . . . 0.0 109.26 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.35 -47.84 80.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.569 0.748 . . . . 0.0 110.742 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -61.26 -37.33 82.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.344 0.657 . . . . 0.0 111.619 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -70.91 -50.56 33.5 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.956 0.798 . . . . 0.0 110.315 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.6 t -55.93 -46.98 80.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 O-C-N 123.934 0.772 . . . . 0.0 109.217 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -67.93 -40.29 83.34 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 117.24 -1.362 . . . . 0.0 110.963 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.473 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -56.33 -48.31 77.0 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 120.564 1.529 . . . . 0.0 109.188 178.17 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.43 HE21 ' ND2' ' A' ' 36' ' ' ASN . 10.9 tp60 -61.64 -42.27 98.66 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -61.35 -47.46 85.79 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.373 0.606 . . . . 0.0 110.039 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.5 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.016 -1.053 . . . . 0.0 110.886 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.43 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.31 -33.34 70.99 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.639 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -67.89 -28.55 67.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.431 0.692 . . . . 0.0 109.447 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -91.43 -2.33 57.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.535 1.134 . . . . 0.0 109.166 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.35 38.56 70.76 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 125.135 1.35 . . . . 0.0 111.258 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.39 122.92 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -152.09 102.77 2.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.29 -153.98 6.08 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 124.358 0.98 . . . . 0.0 111.196 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -76.26 111.63 11.9 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.295 0.638 . . . . 0.0 109.695 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.473 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.2 m95 -82.71 132.37 35.18 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.3 p -127.49 169.23 13.9 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 128.028 2.531 . . . . 0.0 108.96 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 48' ' ' ASP . 56.5 t80 -143.74 144.45 31.83 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.352 1.061 . . . . 0.0 109.039 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.62 87.33 2.61 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.448 2.299 . . . . 0.0 105.31 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 46' ' ' TYR . 23.2 t70 -53.99 -34.76 60.73 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.951 1.301 . . . . 0.0 113.119 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.58 -25.6 39.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.317 2.247 . . . . 0.0 114.144 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -136.38 14.95 3.22 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.338 1.855 . . . . 0.0 108.619 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt 37.05 50.77 0.94 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 127.434 2.293 . . . . 0.0 110.029 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.4 m -116.42 157.22 25.46 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.708 1.203 . . . . 0.0 109.993 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -127.81 146.67 50.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 127.036 2.134 . . . . 0.0 108.155 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.7 m -135.51 128.17 30.88 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -109.64 109.85 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 98.03 9.22 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.059 0.544 . . . . 0.0 110.406 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--O 1.248 1.003 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 178.137 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.63 169.08 12.29 Favored Glycine 0 C--N 1.336 0.563 0 C-N-CA 124.994 1.283 . . . . 0.0 110.702 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 m -81.09 117.16 21.43 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -96.09 164.24 12.78 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 126.993 2.117 . . . . 0.0 107.046 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.59 146.64 49.79 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.189 0.996 . . . . 0.0 111.118 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.2 tp -122.06 138.1 54.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -119.2 109.0 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 126.276 1.83 . . . . 0.0 106.301 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.9 mt -87.41 105.18 17.1 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 104.913 -2.255 . . . . 0.0 104.913 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -108.4 74.47 0.93 Allowed 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.785 1.634 . . . . 0.0 107.521 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.86 156.96 19.27 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-O 123.465 1.592 . . . . 0.0 114.742 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -73.69 -18.99 60.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 113.677 -1.261 . . . . 0.0 111.458 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.8 p -122.09 -40.77 2.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.94 1.696 . . . . 0.0 113.572 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 tt -132.59 139.01 47.61 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -135.1 161.05 36.43 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.441 1.096 . . . . 0.0 108.822 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.82 -178.63 45.63 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -145.0 146.11 31.78 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.3 t -149.48 161.07 42.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 p -131.83 147.75 52.5 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -145.75 151.4 37.92 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -101.29 109.07 20.87 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.64 147.82 40.38 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.509 0.671 . . . . 0.0 109.933 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 m -67.73 -39.54 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.75 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.7 p30 -145.9 174.01 11.63 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 126.447 1.899 . . . . 0.0 108.861 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.86 76.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.082 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.79 -50.62 71.6 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 118.616 -0.707 . . . . 0.0 112.461 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.2 m -62.64 -44.54 96.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.11 70.71 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.673 0.669 . . . . 0.0 110.501 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.83 -45.88 82.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.361 1.064 . . . . 0.0 111.74 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -66.48 -50.2 64.1 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.267 0.627 . . . . 0.0 110.509 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -55.82 -48.58 78.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -62.81 -43.57 98.45 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.787 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.497 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -54.47 -49.99 68.8 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 119.107 0.867 . . . . 0.0 110.052 179.045 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.466 HE21 ' ND2' ' A' ' 36' ' ' ASN . 18.1 tp60 -62.61 -41.86 99.23 Favored 'General case' 0 N--CA 1.436 -1.129 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -60.71 -46.06 91.84 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.323 0.582 . . . . 0.0 110.788 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.54 -48.65 71.75 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.225 -0.922 . . . . 0.0 110.684 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.466 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.27 -32.56 68.51 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.193 0.597 . . . . 0.0 109.469 178.738 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -67.61 -32.83 73.83 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -85.26 -2.4 58.01 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.761 0.825 . . . . 0.0 109.208 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.36 20.79 74.3 Favored Glycine 0 C--N 1.338 0.669 0 C-N-CA 125.875 1.702 . . . . 0.0 112.841 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -97.87 122.52 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -151.17 103.28 3.01 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.72 -155.07 6.34 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 124.525 1.059 . . . . 0.0 111.368 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -79.23 112.12 16.14 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.563 1.145 . . . . 0.0 108.704 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.497 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 58.9 m95 -86.71 132.58 33.83 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.237 1.415 . . . . 0.0 110.635 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.1 p -124.22 176.02 6.68 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.945 2.098 . . . . 0.0 110.888 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -144.99 134.66 23.39 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 121.226 -0.921 . . . . 0.0 109.6 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -122.57 83.34 2.1 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 127.563 2.345 . . . . 0.0 105.701 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -55.48 -33.43 63.68 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.666 0.787 . . . . 0.0 112.178 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.23 -28.28 7.37 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.494 1.917 . . . . 0.0 113.41 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 t -135.49 17.09 3.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.774 1.63 . . . . 0.0 108.366 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? 38.45 55.49 1.84 Allowed 'General case' 0 C--N 1.345 0.413 0 C-N-CA 127.748 2.419 . . . . 0.0 109.726 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.6 m -118.8 156.75 28.86 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 113.924 -1.489 . . . . 0.0 109.783 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -127.01 142.29 51.58 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 128.025 2.53 . . . . 0.0 106.55 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 m -132.04 136.49 47.27 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -117.79 113.41 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.68 99.41 9.67 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.051 0 C-N-CA 125.126 1.37 . . . . 0.0 109.205 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.512 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -100.07 120.47 39.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -99.42 159.01 15.33 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 124.445 1.098 . . . . 0.0 108.164 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -132.71 145.44 51.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.273 1.029 . . . . 0.0 108.45 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.3 tp -122.15 138.42 54.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.9 mt -121.27 105.8 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.9 mt -85.3 105.09 15.71 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -107.52 73.91 0.94 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.412 1.485 . . . . 0.0 108.617 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -97.0 152.93 20.2 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-O 123.036 1.353 . . . . 0.0 115.09 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' H ' ' HB3' ' A' ' 57' ' ' GLU . 22.4 mmmt -69.87 -25.0 63.51 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.465 1.106 . . . . 0.0 109.477 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.8 p -109.29 -49.36 3.13 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 124.157 0.983 . . . . 0.0 112.639 -176.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 tt -135.25 148.16 49.5 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 125.02 1.328 . . . . 0.0 108.791 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -135.39 161.61 34.94 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 125.957 1.703 . . . . 0.0 109.906 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.46 -179.03 48.9 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.809 0.719 . . . . 0.0 111.589 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -147.07 149.8 33.79 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.179 0.991 . . . . 0.0 109.609 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 t -150.94 164.27 36.75 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.539 1.536 . . . . 0.0 108.134 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 p -140.35 139.87 35.46 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.669 1.587 . . . . 0.0 108.348 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 t -146.59 151.48 37.38 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -93.82 112.09 23.89 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.9 145.38 44.68 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.761 0.791 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.0 m -67.27 -32.38 57.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.145 1.378 . . . . 0.0 113.108 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -153.02 167.62 28.59 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.603 1.961 . . . . 0.0 108.15 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.82 73.0 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.657 0.783 . . . . 0.0 112.361 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.96 -47.96 70.02 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 119.13 0.877 . . . . 0.0 109.47 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 m -59.03 -44.43 91.74 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.78 -51.09 71.46 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.682 0.277 . . . . 0.0 111.112 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.06 -38.76 90.01 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.683 1.193 . . . . 0.0 111.474 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -68.46 -49.6 58.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.279 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.9 t -56.1 -50.64 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -63.89 -40.89 97.57 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 117.118 -1.42 . . . . 0.0 111.639 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.503 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.4 mttt -56.55 -49.49 74.68 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 120.673 1.579 . . . . 0.0 109.371 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -59.58 -44.05 93.46 Favored 'General case' 0 N--CA 1.434 -1.236 0 C-N-CA 123.722 0.809 . . . . 0.0 109.078 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -64.47 -45.31 87.95 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.453 0.644 . . . . 0.0 112.102 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.86 75.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 120.833 -1.167 . . . . 0.0 110.452 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -32.03 69.24 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.181 0.592 . . . . 0.0 109.68 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -67.13 -38.61 85.87 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -79.25 -4.83 52.54 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.694 0.798 . . . . 0.0 109.305 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.25 31.07 53.35 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 125.802 1.667 . . . . 0.0 111.716 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.1 t -109.86 123.85 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -152.44 104.18 2.9 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.48 -157.0 6.99 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 125.268 1.413 . . . . 0.0 111.247 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -74.31 113.33 11.41 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.503 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.2 m95 -85.48 132.69 34.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.49 0.716 . . . . 0.0 109.399 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -126.58 171.88 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 127.519 2.328 . . . . 0.0 109.365 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -146.79 149.38 33.24 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 124.208 1.003 . . . . 0.0 108.79 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.95 91.28 2.68 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 127.055 2.142 . . . . 0.0 105.386 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.38 -28.76 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.758 0.823 . . . . 0.0 111.481 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.45 -34.43 24.71 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 126.81 2.044 . . . . 0.0 112.124 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.6 t -136.16 13.96 3.3 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.152 0.581 . . . . 0.0 110.548 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttp 50.05 62.29 2.74 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 128.263 2.625 . . . . 0.0 111.682 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.9 m -129.12 154.43 46.72 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.247 0.619 . . . . 0.0 111.212 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -125.36 144.1 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 126.666 1.986 . . . . 0.0 106.988 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 m -134.92 127.43 30.62 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.9 p -110.37 113.1 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.15 95.95 6.89 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.083 0.553 . . . . 0.0 110.409 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 3.6 tt0 . . . . . 0 C--O 1.245 0.863 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.514 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.4 m -77.28 135.84 38.46 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.629 0.772 . . . . 0.0 110.042 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -122.38 157.07 32.66 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 126.649 1.98 . . . . 0.0 106.738 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -134.29 146.86 50.42 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 124.837 1.255 . . . . 0.0 111.274 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.454 HD21 HD21 ' A' ' 8' ' ' LEU . 60.4 tp -124.64 134.08 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mt -116.39 107.55 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.454 HD21 HD21 ' A' ' 6' ' ' LEU . 70.2 mt -87.07 106.84 18.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -105.26 74.67 1.11 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.422 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -90.86 147.98 19.21 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.391 -1.083 . . . . 0.0 110.391 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -72.55 -14.63 61.68 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.569 -0.959 . . . . 0.0 110.254 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -48.64 3.07 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.194 2.197 . . . . 0.0 110.098 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.7 tp -135.68 144.35 45.94 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.001 1.273 . . . . 0.0 110.444 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HE3' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -131.15 148.55 52.73 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.525 0.73 . . . . 0.0 109.772 179.323 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.57 179.42 42.06 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 123.53 0.586 . . . . 0.0 113.332 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -142.63 136.31 29.0 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 124.428 1.091 . . . . 0.0 111.169 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -139.42 165.04 28.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.458 1.503 . . . . 0.0 109.458 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.5 p -144.17 145.25 31.97 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.423 1.089 . . . . 0.0 110.075 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -146.94 152.38 38.55 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.716 1.206 . . . . 0.0 109.204 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -95.12 117.05 29.54 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.98 154.43 36.01 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 123.285 0.634 . . . . 0.0 110.668 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.28 -39.11 80.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 124.134 0.974 . . . . 0.0 110.885 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -148.17 163.89 35.59 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.72 70.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 118.959 -0.543 . . . . 0.0 110.785 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -48.23 76.5 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.414 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -61.85 -41.7 98.13 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 126.46 1.904 . . . . 0.0 108.584 178.782 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.65 69.59 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.17 -42.53 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 126.697 1.999 . . . . 0.0 109.587 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 36.6 mtmt -66.68 -48.65 68.66 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 121.019 -1.05 . . . . 0.0 110.663 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.6 t -60.78 -50.89 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -59.55 -38.73 81.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.027 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -58.27 -47.94 82.03 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 120.432 1.469 . . . . 0.0 109.669 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -59.49 -42.02 91.16 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -68.8 -45.99 69.83 Favored 'General case' 0 C--O 1.226 -0.158 0 O-C-N 123.743 0.652 . . . . 0.0 112.157 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.72 89.56 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 120.888 -1.133 . . . . 0.0 108.98 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -31.6 72.61 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.05 -29.2 70.63 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.465 0.575 . . . . 0.0 109.883 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -94.92 -0.9 53.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.075 1.35 . . . . 0.0 110.087 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.35 27.87 58.86 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 126.515 2.007 . . . . 0.0 112.696 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 t -105.41 119.12 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 125.207 1.403 . . . . 0.0 108.558 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -148.52 101.58 3.24 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -140.64 -148.13 5.08 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 124.18 0.895 . . . . 0.0 113.009 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -86.2 112.92 21.8 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -87.83 134.27 33.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.333 1.053 . . . . 0.0 111.784 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.0 p -123.26 169.55 11.18 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.681 1.992 . . . . 0.0 109.44 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -147.31 121.53 9.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.902 1.228 . . . . 0.0 111.463 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -106.7 84.67 2.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.89 2.876 . . . . 0.0 105.35 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -53.76 -36.37 62.28 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.551 1.14 . . . . 0.0 113.085 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.72 -37.58 63.46 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.916 0.886 . . . . 0.0 112.763 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.6 t -111.81 -1.65 15.51 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.478 1.111 . . . . 0.0 111.633 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt 54.71 55.18 8.18 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 126.123 1.769 . . . . 0.0 106.885 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.1 m -130.07 144.25 51.24 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.064 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -115.68 149.2 38.76 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 176.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.9 m -131.59 132.56 44.18 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 p -116.44 111.74 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 m -100.13 101.29 12.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 52.0 tt0 . . . . . 0 C--O 1.246 0.87 0 C-N-CA 127.029 2.131 . . . . 0.0 110.694 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.412 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -77.96 115.78 17.95 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -99.61 157.45 16.45 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 105.28 -2.119 . . . . 0.0 105.28 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -130.88 146.98 52.47 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 124.856 1.262 . . . . 0.0 110.215 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.7 tp -122.65 139.28 54.12 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 124.691 1.196 . . . . 0.0 108.559 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.9 mt -119.04 109.91 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 105.013 -2.217 . . . . 0.0 105.013 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -88.45 107.5 18.9 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -115.73 73.1 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.441 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -90.13 158.63 26.96 Favored Glycine 0 C--N 1.334 0.443 0 O-C-N 120.322 -1.486 . . . . 0.0 112.049 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' H ' ' HB3' ' A' ' 57' ' ' GLU . 26.7 mmmt -61.17 -28.31 69.03 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.697 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.8 p -115.57 -36.33 4.29 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 116.914 -1.517 . . . . 0.0 110.922 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.4 tp -128.39 131.56 48.5 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 121.26 1.846 . . . . 0.0 112.941 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.52 150.4 44.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.122 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.76 -176.15 44.68 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 125.388 1.47 . . . . 0.0 110.194 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -145.79 150.98 37.2 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 124.841 1.256 . . . . 0.0 108.603 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -152.25 166.37 31.99 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.951 0.901 . . . . 0.0 109.008 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.9 p -139.82 148.04 41.6 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.903 0.881 . . . . 0.0 109.869 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.495 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 1.3 t -146.19 143.25 29.15 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -97.18 105.35 17.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 102.423 -3.177 . . . . 0.0 102.423 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.39 156.66 20.49 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.944 0.778 . . . . 0.0 109.819 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -68.03 -37.52 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 123.246 0.618 . . . . 0.0 111.515 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.96 168.41 24.65 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.21 1.004 . . . . 0.0 108.843 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.05 -25.2 67.72 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 116.735 -1.602 . . . . 0.0 111.79 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.36 -50.52 45.44 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 121.13 1.786 . . . . 0.0 107.066 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.411 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 74.3 m -57.25 -43.92 83.42 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 121.192 -0.942 . . . . 0.0 108.906 178.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.28 -51.65 68.03 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.346 0.658 . . . . 0.0 110.439 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.88 -44.71 67.06 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 125.858 1.663 . . . . 0.0 110.913 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 57.5 mtmt -67.54 -49.08 65.0 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.524 1.129 . . . . 0.0 110.232 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t -56.72 -49.06 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CZ ' HG22 ' A' ' 19' ' ' THR . 26.0 m-85 -61.23 -42.57 98.84 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.943 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.483 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 5.0 mttt -56.1 -51.36 68.18 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 119.582 1.083 . . . . 0.0 109.695 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -59.26 -42.41 91.12 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-O 118.35 -0.833 . . . . 0.0 108.92 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -67.15 -44.03 80.84 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 124.085 0.866 . . . . 0.0 112.457 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.38 75.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 120.605 -1.309 . . . . 0.0 110.96 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -28.76 70.2 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 123.368 0.418 . . . . 0.0 110.323 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.41 -40.25 96.7 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -82.63 -1.54 51.3 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.47 1.108 . . . . 0.0 110.651 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.21 24.76 58.75 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 125.809 1.671 . . . . 0.0 113.95 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -107.08 118.46 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 125.662 1.585 . . . . 0.0 109.705 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -154.38 93.07 1.56 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.493 ' H ' ' CG2' ' A' ' 55' ' ' VAL . . . -117.74 -140.24 6.49 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 124.567 1.08 . . . . 0.0 111.297 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -89.66 114.34 25.95 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.483 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 53.9 m95 -86.0 134.05 33.88 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.797 0.439 . . . . 0.0 110.347 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.1 p -126.13 176.64 6.9 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.855 1.662 . . . . 0.0 108.636 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -157.69 129.95 7.18 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.565 -1.334 . . . . 0.0 110.076 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -113.62 78.0 1.1 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -52.54 -34.54 50.58 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.148 0.979 . . . . 0.0 111.586 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.67 -33.41 22.49 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 126.425 1.89 . . . . 0.0 112.091 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 t -127.77 12.81 6.84 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.225 1.41 . . . . 0.0 110.812 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp 51.74 39.1 24.7 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 126.469 1.908 . . . . 0.0 113.287 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -116.76 130.08 56.5 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -101.58 152.13 21.16 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 105.056 -2.201 . . . . 0.0 105.056 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.1 m -135.81 116.25 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 120.529 -1.357 . . . . 0.0 108.304 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.493 ' CG2' ' H ' ' A' ' 42' ' ' GLY . 4.8 p -100.92 108.3 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.3 m -107.8 104.71 14.27 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.441 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 1.8 tt0 . . . . . 0 C--O 1.255 1.375 0 N-CA-C 104.895 -2.261 . . . . 0.0 104.895 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.553 0 CA-C-O 121.717 0.621 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 m -90.2 122.42 33.12 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -106.38 159.19 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 125.803 1.641 . . . . 0.0 108.718 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -130.57 146.18 52.03 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.299 1.44 . . . . 0.0 109.846 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.401 HD21 HD21 ' A' ' 8' ' ' LEU . 41.5 tp -123.44 136.45 54.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt -121.28 104.63 15.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.401 HD21 HD21 ' A' ' 6' ' ' LEU . 96.9 mt -83.38 105.33 14.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -107.5 74.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.444 1.098 . . . . 0.0 108.629 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 57' ' ' GLU . . . -94.93 154.62 21.26 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-O 122.152 0.862 . . . . 0.0 113.448 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -70.3 -20.77 63.0 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.01 -0.595 . . . . 0.0 111.138 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.7 p -112.48 -43.44 3.49 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.486 1.115 . . . . 0.0 111.967 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 tp -134.25 152.46 51.83 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.213 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.38 157.23 46.23 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.32 1.448 . . . . 0.0 107.844 177.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.03 166.61 39.21 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.055 0.836 . . . . 0.0 111.502 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -132.6 146.75 52.14 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 121.069 -1.254 . . . . 0.0 107.678 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 t -153.64 157.86 40.25 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.455 1.102 . . . . 0.0 108.238 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 p -130.82 143.58 50.84 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.065 1.346 . . . . 0.0 107.556 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.24 151.72 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -97.66 126.12 42.81 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.28 146.39 50.76 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.85 -36.96 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.731 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -148.55 164.3 34.64 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 126.017 1.727 . . . . 0.0 107.74 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.39 -33.87 68.28 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.186 1.394 . . . . 0.0 110.953 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.64 -50.39 73.69 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.611 0.641 . . . . 0.0 109.862 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.423 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 84.7 m -60.76 -44.77 96.32 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.953 1.301 . . . . 0.0 109.458 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.53 -51.09 71.33 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -61.63 -36.98 82.31 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.694 1.197 . . . . 0.0 111.207 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 49.3 mtmt -69.25 -50.21 49.21 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 119.196 0.907 . . . . 0.0 109.524 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.25 -49.21 80.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -63.21 -41.68 99.17 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 117.629 -1.177 . . . . 0.0 111.025 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.514 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.8 mttt -57.06 -48.82 77.64 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 120.562 1.528 . . . . 0.0 108.986 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -62.9 -41.23 99.37 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.244 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -62.08 -45.98 91.12 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.849 0.833 . . . . 0.0 110.661 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.9 73.42 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 120.949 -1.094 . . . . 0.0 109.508 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -31.68 70.1 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 119.217 -0.42 . . . . 0.0 110.119 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -64.77 -38.42 90.92 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -82.76 -4.45 57.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.884 1.674 . . . . 0.0 110.117 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.31 43.43 38.53 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 125.171 1.367 . . . . 0.0 110.695 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -124.44 120.62 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 125.08 1.352 . . . . 0.0 108.041 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -159.41 97.73 1.36 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.8 -138.9 3.99 Favored Glycine 0 C--O 1.224 -0.479 0 O-C-N 124.337 1.023 . . . . 0.0 111.773 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -82.92 110.99 18.39 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.679 0.792 . . . . 0.0 109.85 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.514 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 66.2 m95 -87.7 134.59 33.63 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.557 1.543 . . . . 0.0 110.865 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.1 p -127.03 172.29 10.62 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.877 2.071 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -144.61 143.85 30.98 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 119.847 1.203 . . . . 0.0 108.935 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.35 90.23 2.65 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 126.476 1.91 . . . . 0.0 106.295 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.27 -35.68 67.72 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.934 0.893 . . . . 0.0 112.089 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.53 -27.46 6.72 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.29 1.836 . . . . 0.0 112.963 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.9 t -135.5 16.39 3.39 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.682 1.593 . . . . 0.0 109.743 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt 38.68 50.29 1.59 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 127.651 2.38 . . . . 0.0 110.275 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -116.79 157.84 24.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.818 0.847 . . . . 0.0 110.595 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -129.34 143.16 50.74 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 127.572 2.349 . . . . 0.0 106.097 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.3 m -134.07 135.29 43.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.3 p -118.91 111.12 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.93 98.24 10.91 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 1.6 tm-20 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 124.843 1.257 . . . . 0.0 109.797 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -85.75 127.6 34.57 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -111.8 158.28 19.57 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.492 1.117 . . . . 0.0 108.148 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -131.56 146.02 52.01 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.278 1.431 . . . . 0.0 109.712 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.484 HD21 HD21 ' A' ' 8' ' ' LEU . 39.8 tp -122.15 137.67 54.74 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.2 mt -122.63 104.78 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 126.469 1.907 . . . . 0.0 106.137 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.484 HD21 HD21 ' A' ' 6' ' ' LEU . 96.4 mt -83.76 105.37 14.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -106.61 75.04 1.04 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.475 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -94.47 161.9 24.28 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-O 123.42 1.567 . . . . 0.0 116.384 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -70.11 -25.57 63.56 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 125.54 1.536 . . . . 0.0 110.718 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -114.69 -39.35 3.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 119.045 -0.502 . . . . 0.0 112.224 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -135.72 158.74 43.65 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.57 150.84 45.53 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.45 175.03 41.28 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.17 152.41 39.2 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.571 0.748 . . . . 0.0 109.047 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -157.54 159.78 37.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.328 1.051 . . . . 0.0 108.743 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.94 142.44 50.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.19 1.396 . . . . 0.0 108.963 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.449 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 4.0 t -145.53 144.01 30.29 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -87.72 117.66 26.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 104.286 -2.487 . . . . 0.0 104.286 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.09 147.41 47.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 118.547 0.612 . . . . 0.0 110.277 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.2 -30.28 48.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.757 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -154.56 162.63 41.05 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 125.338 1.455 . . . . 0.0 108.066 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -29.02 66.26 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 124.011 0.925 . . . . 0.0 110.716 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.32 70.01 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.342 0.591 . . . . 0.0 109.883 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.494 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 9.5 m -60.11 -44.75 94.62 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.81 -50.55 73.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -58.84 -40.8 85.33 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.104 0.562 . . . . 0.0 112.035 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.494 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 7.9 mtmp? -67.42 -48.91 65.91 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.242 0.928 . . . . 0.0 109.785 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.87 -49.09 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.449 ' CZ ' HG22 ' A' ' 19' ' ' THR . 16.9 m-30 -63.62 -41.65 98.27 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 117.556 -1.212 . . . . 0.0 110.663 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -56.34 -48.55 76.53 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 120.647 1.567 . . . . 0.0 108.745 178.057 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -62.78 -41.92 99.47 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.14 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -63.75 -43.76 95.49 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 118.442 0.564 . . . . 0.0 111.442 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.67 72.24 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.036 -1.04 . . . . 0.0 109.383 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -32.45 69.53 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.6 0.562 . . . . 0.0 109.623 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -65.97 -36.51 83.51 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.479 -0.763 . . . . 0.0 109.203 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -83.76 -3.34 57.74 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.565 1.146 . . . . 0.0 109.888 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.77 42.3 46.74 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 125.002 1.287 . . . . 0.0 111.087 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -117.41 123.07 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -152.69 97.13 2.2 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.43 -152.78 5.8 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 124.861 1.22 . . . . 0.0 112.141 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.15 112.13 13.49 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.915 0.886 . . . . 0.0 109.953 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.501 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 61.4 m95 -85.4 133.54 34.12 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.522 1.129 . . . . 0.0 110.031 179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.6 p -124.73 176.71 6.4 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.754 2.022 . . . . 0.0 110.908 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -148.08 146.72 28.95 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 120.428 -1.42 . . . . 0.0 109.42 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -138.07 86.23 2.16 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.586 1.954 . . . . 0.0 107.782 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.05 -27.71 67.17 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.542 -1.349 . . . . 0.0 111.574 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.91 -29.36 11.84 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.92 1.688 . . . . 0.0 113.224 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -135.76 11.64 3.41 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.896 2.079 . . . . 0.0 108.843 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 45.05 51.33 8.93 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 127.283 2.233 . . . . 0.0 109.007 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.8 m -115.37 158.03 23.03 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.341 1.056 . . . . 0.0 110.074 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -131.04 145.31 51.99 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 128.411 2.684 . . . . 0.0 106.463 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 m -134.88 137.59 43.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 p -119.84 110.67 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.46 98.02 10.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 122.662 0.385 . . . . 0.0 110.55 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.475 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 5.1 tt0 . . . . . 0 C--O 1.254 1.335 0 N-CA-C 104.631 -2.359 . . . . 0.0 104.631 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -79.98 125.01 29.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -107.05 159.93 15.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.274 1.83 . . . . 0.0 107.216 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -131.27 145.63 51.97 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.992 1.317 . . . . 0.0 109.997 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.485 HD21 HD21 ' A' ' 8' ' ' LEU . 38.8 tp -124.88 134.48 52.68 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 177.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -119.06 107.54 21.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.485 HD21 HD21 ' A' ' 6' ' ' LEU . 92.4 mt -85.43 104.44 15.23 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -103.15 73.94 1.26 Allowed 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.9 152.62 20.83 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 124.106 1.948 . . . . 0.0 115.262 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -78.68 -14.31 59.36 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 126.102 1.761 . . . . 0.0 109.001 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.6 p -104.04 -60.92 1.51 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.293 2.237 . . . . 0.0 109.909 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.405 HD12 ' H ' ' A' ' 14' ' ' LYS . 44.6 tp -136.55 159.25 42.37 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.519 1.928 . . . . 0.0 107.696 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.405 ' H ' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -133.15 156.87 46.67 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.621 1.168 . . . . 0.0 108.319 177.833 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.42 175.89 42.95 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.816 -0.513 . . . . 0.0 111.816 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -146.19 149.51 34.09 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.232 1.013 . . . . 0.0 108.72 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -153.11 158.63 42.15 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.578 1.551 . . . . 0.0 107.989 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p -132.45 138.0 47.45 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.27 152.9 39.92 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -99.48 127.12 45.52 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.8 148.63 52.57 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.55 0.74 . . . . 0.0 110.129 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.3 p -68.26 -38.56 79.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 123.428 0.691 . . . . 0.0 111.933 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -148.61 169.44 20.33 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.363 1.865 . . . . 0.0 108.989 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -19.04 65.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.574 0.75 . . . . 0.0 112.009 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.94 -50.38 16.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.8 m -60.67 -41.51 95.2 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.54 -50.88 72.15 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.86 -37.32 86.96 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.46 0.475 . . . . 0.0 111.75 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -66.71 -50.09 63.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.024 0.829 . . . . 0.0 109.164 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.1 t -58.04 -50.55 77.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -63.13 -39.31 94.31 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 117.307 -1.33 . . . . 0.0 111.441 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 4.8 mttt -56.71 -47.86 79.0 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 120.325 1.42 . . . . 0.0 109.322 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -62.02 -42.79 99.55 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -61.47 -44.87 96.32 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 121.665 0.745 . . . . 0.0 110.667 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.86 -48.4 71.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 120.383 -1.448 . . . . 0.0 111.012 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -29.03 65.89 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.747 0.819 . . . . 0.0 109.903 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.6 -43.36 80.67 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -79.29 -5.84 55.35 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.369 1.067 . . . . 0.0 110.892 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.09 29.35 46.46 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 125.182 1.372 . . . . 0.0 112.45 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.2 t -107.2 122.49 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -151.57 99.99 2.66 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.14 -155.15 6.35 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 125.265 1.412 . . . . 0.0 111.963 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -76.98 113.08 14.29 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.38 1.072 . . . . 0.0 109.236 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.47 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 68.9 m95 -86.94 133.64 33.58 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.217 1.407 . . . . 0.0 111.516 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.9 p -125.55 175.5 7.5 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.774 2.43 . . . . 0.0 111.362 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -148.0 145.49 28.55 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 120.209 -1.557 . . . . 0.0 109.211 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.77 87.11 2.29 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 127.328 2.251 . . . . 0.0 105.172 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -57.0 -32.57 66.25 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.987 0.915 . . . . 0.0 113.086 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.05 -26.94 17.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.402 1.881 . . . . 0.0 112.021 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.7 t -135.48 15.94 3.41 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.774 1.23 . . . . 0.0 109.59 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttm 42.85 47.45 4.8 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 126.097 1.759 . . . . 0.0 111.017 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.9 m -114.9 154.13 29.24 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.364 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -129.27 142.92 50.71 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 127.492 2.317 . . . . 0.0 104.914 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.2 m -134.84 137.26 43.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -119.37 112.32 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 123.716 0.807 . . . . 0.0 108.833 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.2 96.71 10.18 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.622 1.169 . . . . 0.0 109.422 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.244 0.807 0 C-N-CA 125.188 1.395 . . . . 0.0 111.045 179.502 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m -80.65 113.97 19.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -97.89 159.21 15.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -131.88 147.03 52.45 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 124.74 1.216 . . . . 0.0 109.996 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -122.18 143.75 49.38 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.177 1.391 . . . . 0.0 107.374 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.8 mt -124.57 113.02 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.9 mt -92.42 106.92 18.82 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -113.29 73.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.1 156.87 20.95 Favored Glycine 0 C--N 1.333 0.406 0 O-C-N 120.64 -1.288 . . . . 0.0 112.759 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -68.76 -11.6 60.5 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 121.805 -0.821 . . . . 0.0 111.056 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.9 p -132.57 -39.59 1.0 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.188 1.395 . . . . 0.0 111.615 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -124.83 131.92 53.39 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 120.064 1.302 . . . . 0.0 110.064 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -133.39 160.88 36.06 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.374 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.15 -171.1 42.9 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -147.86 149.99 33.3 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.617 1.567 . . . . 0.0 107.301 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 t -152.18 166.41 31.8 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -139.78 149.19 43.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 121.645 -0.659 . . . . 0.0 110.172 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.528 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 1.6 t -145.99 149.45 34.18 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -101.24 105.66 16.79 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.37 156.4 19.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.326 1.05 . . . . 0.0 110.169 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -74.27 -39.08 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 123.15 0.58 . . . . 0.0 110.568 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -140.46 164.12 31.0 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 124.318 1.047 . . . . 0.0 108.604 -178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -25.23 68.01 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.131 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.63 -50.13 59.55 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.311 0.96 . . . . 0.0 108.88 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -58.72 -41.2 85.82 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 121.585 -0.697 . . . . 0.0 109.333 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.67 -51.46 67.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.589 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.03 -45.45 75.18 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.246 1.018 . . . . 0.0 111.174 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -65.84 -47.91 73.38 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.377 0.671 . . . . 0.0 110.484 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.5 -47.61 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.528 ' CZ ' HG22 ' A' ' 19' ' ' THR . 25.1 m-85 -62.05 -40.25 95.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.209 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 38.2 mttt -56.91 -48.25 78.66 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.182 0.901 . . . . 0.0 109.281 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -59.95 -41.04 91.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -66.39 -44.84 81.95 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 123.732 0.645 . . . . 0.0 112.026 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.67 72.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 120.583 -1.323 . . . . 0.0 110.794 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -29.43 69.24 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.499 0.72 . . . . 0.0 110.29 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.81 -43.63 92.51 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -79.8 -3.1 46.27 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.374 1.07 . . . . 0.0 110.318 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.13 20.89 63.92 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 125.284 1.421 . . . . 0.0 114.224 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.07 116.25 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.885 1.674 . . . . 0.0 106.795 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -149.47 92.43 1.93 Allowed 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.88 -149.66 6.77 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 124.68 1.133 . . . . 0.0 111.294 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -83.32 113.88 21.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.306 1.442 . . . . 0.0 107.799 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.476 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 55.4 m95 -85.91 137.92 32.39 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 123.532 0.733 . . . . 0.0 109.83 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 p -129.29 177.98 6.77 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.398 1.879 . . . . 0.0 109.001 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -155.44 142.55 19.23 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 120.482 -1.386 . . . . 0.0 109.461 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -129.74 80.93 1.99 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -54.81 -34.19 62.47 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.234 1.014 . . . . 0.0 110.86 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.01 8.25 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 127.601 2.36 . . . . 0.0 112.211 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.7 t -135.23 18.37 3.41 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.423 1.489 . . . . 0.0 110.573 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttt 44.3 49.15 7.97 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 125.233 1.413 . . . . 0.0 111.555 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.2 m -131.13 138.58 49.55 Favored 'General case' 0 C--O 1.227 -0.105 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -110.32 152.42 26.21 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.0 m -135.27 118.51 16.62 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.0 p -103.07 110.9 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.0 m -106.57 107.72 18.88 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 123.848 0.717 . . . . 0.0 110.265 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.091 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.0 m -88.67 136.22 33.11 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -114.0 153.18 29.8 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 tmmt? -130.28 145.75 51.8 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 124.643 1.177 . . . . 0.0 109.299 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.6 tp -120.31 143.94 48.09 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.4 mt -125.7 103.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.9 mt -82.42 107.13 14.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -109.96 73.47 0.84 Allowed 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.809 1.244 . . . . 0.0 109.125 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.453 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -95.35 150.26 19.61 Favored Glycine 0 N--CA 1.443 -0.893 0 O-C-N 121.295 -0.878 . . . . 0.0 111.714 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -7.78 53.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.545 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.5 p -122.17 -39.92 2.54 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.841 1.257 . . . . 0.0 111.445 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.55 153.58 51.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.662 1.585 . . . . 0.0 107.336 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -140.34 160.64 39.53 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.269 1.427 . . . . 0.0 107.215 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.93 177.2 48.4 Favored Glycine 0 CA--C 1.52 0.406 0 O-C-N 121.194 -0.941 . . . . 0.0 112.613 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -143.98 147.99 34.67 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -155.63 161.12 40.86 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 p -135.28 144.34 46.73 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.842 1.257 . . . . 0.0 109.203 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.414 HG22 ' CE1' ' A' ' 31' ' ' PHE . 9.7 t -146.93 152.54 38.83 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.197 1.399 . . . . 0.0 107.371 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -100.31 124.15 45.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.06 148.07 48.68 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 122.268 1.033 . . . . 0.0 111.705 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -67.39 -39.58 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.828 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -145.36 169.39 18.37 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.736 1.614 . . . . 0.0 108.205 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -30.96 70.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.291 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.08 -48.79 69.79 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 119.224 0.92 . . . . 0.0 109.952 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.6 m -59.5 -43.05 93.43 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 120.155 1.343 . . . . 0.0 107.821 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.67 -51.13 70.79 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 111.606 0.224 . . . . 0.0 111.606 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.03 -42.75 99.05 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.264 1.426 . . . . 0.0 111.083 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -65.62 -50.16 66.07 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.823 0.738 . . . . 0.0 109.975 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -57.81 -47.59 85.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CE1' HG22 ' A' ' 19' ' ' THR . 9.9 m-30 -66.4 -39.75 89.2 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 116.988 -1.482 . . . . 0.0 110.947 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 10.6 mttp -57.03 -47.4 81.0 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 120.712 1.597 . . . . 0.0 109.693 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -61.82 -42.54 99.15 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -66.6 -41.18 88.84 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.176 0.512 . . . . 0.0 111.074 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.05 -45.93 83.32 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.036 -1.665 . . . . 0.0 109.446 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -31.93 69.59 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.52 -42.99 98.45 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 123.627 0.771 . . . . 0.0 109.139 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -79.84 -4.53 52.57 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.505 1.122 . . . . 0.0 109.97 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.81 43.96 40.16 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 125.661 1.6 . . . . 0.0 110.916 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -124.28 120.34 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 C-N-CA 125.634 1.573 . . . . 0.0 108.282 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -159.18 98.33 1.43 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -134.4 -137.35 3.78 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.195 0.902 . . . . 0.0 111.765 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -83.54 111.33 18.98 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.785 0.834 . . . . 0.0 109.041 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.521 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 57.9 m95 -87.48 136.81 32.79 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.014 0.926 . . . . 0.0 110.023 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.1 p -126.08 171.48 10.8 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.058 2.143 . . . . 0.0 110.07 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -144.11 142.91 30.87 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 119.6 1.091 . . . . 0.0 109.291 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -133.69 84.51 2.13 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 126.67 1.988 . . . . 0.0 106.674 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.95 -28.6 64.47 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.69 0.796 . . . . 0.0 111.951 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.22 -28.37 18.26 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.621 1.568 . . . . 0.0 112.52 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 t -134.44 6.36 3.53 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.211 1.404 . . . . 0.0 110.178 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp 52.42 51.71 15.63 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 127.288 2.235 . . . . 0.0 109.473 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.8 m -120.85 156.26 32.35 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.439 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -127.68 147.02 50.38 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.065 2.146 . . . . 0.0 106.706 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.5 m -135.33 134.53 39.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 p -117.08 109.97 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.14 96.0 9.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 3.1 tt0 . . . . . 0 C--O 1.25 1.086 0 C-N-CA 124.767 1.227 . . . . 0.0 110.634 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -83.28 117.29 22.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.555 ' CE2' ' HE3' ' A' ' 51' ' ' LYS . 60.2 m-85 -98.91 160.79 14.02 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -133.59 147.03 51.48 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 124.881 1.272 . . . . 0.0 111.09 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HB3' HG22 ' A' ' 17' ' ' THR . 65.6 tp -123.02 138.48 54.68 Favored 'General case' 0 CA--C 1.511 -0.551 0 C-N-CA 124.613 1.165 . . . . 0.0 108.454 178.231 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.2 mt -119.41 106.22 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.9 mt -86.56 105.01 16.54 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -108.19 73.16 0.87 Allowed 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.426 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -85.59 155.87 29.8 Favored Glycine 0 N--CA 1.442 -0.904 0 O-C-N 120.212 -1.555 . . . . 0.0 110.508 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -68.99 -24.14 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.158 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.4 p -111.67 -49.98 2.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.552 1.141 . . . . 0.0 110.244 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 tp -125.48 132.71 52.62 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 119.3 0.955 . . . . 0.0 111.103 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 154.2 34.2 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.14 -177.43 44.21 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -147.48 152.17 37.6 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.62 1.168 . . . . 0.0 108.648 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.421 HG22 ' HB3' ' A' ' 6' ' ' LEU . 7.6 t -152.86 165.83 34.21 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.404 1.082 . . . . 0.0 108.311 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 p -140.1 147.79 40.76 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.336 1.054 . . . . 0.0 108.217 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.432 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -146.65 147.31 30.9 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 177.553 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -95.92 105.85 17.92 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 105.205 -2.146 . . . . 0.0 105.205 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.92 152.11 25.37 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.758 0.823 . . . . 0.0 109.242 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.0 p -73.89 -39.64 52.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 123.783 0.833 . . . . 0.0 110.492 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -145.49 170.2 16.86 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.79 1.236 . . . . 0.0 109.772 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.42 -30.14 71.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 117.421 -1.276 . . . . 0.0 112.191 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.44 -50.0 61.2 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.953 1.251 . . . . 0.0 107.904 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -56.66 -43.25 80.17 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 121.94 -0.475 . . . . 0.0 109.818 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.93 -51.29 67.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.487 0.715 . . . . 0.0 110.752 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -53.24 -47.19 69.22 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.177 1.391 . . . . 0.0 110.642 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -66.51 -47.75 71.98 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 123.663 0.785 . . . . 0.0 111.372 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.65 -48.21 89.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.432 ' CZ ' HG22 ' A' ' 19' ' ' THR . 26.2 m-85 -61.67 -41.21 97.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.939 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.485 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 10.2 mttt -57.17 -49.7 75.13 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 119.628 1.104 . . . . 0.0 109.971 178.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -60.55 -41.44 94.54 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.115 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -67.96 -46.06 72.47 Favored 'General case' 0 C--O 1.222 -0.362 0 O-C-N 123.851 0.719 . . . . 0.0 111.275 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.0 -47.2 84.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.81 -1.181 . . . . 0.0 110.8 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -30.34 71.48 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 123.435 0.459 . . . . 0.0 110.735 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.78 -36.64 84.96 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.04 0.936 . . . . 0.0 109.283 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -83.83 -5.0 59.11 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.857 1.263 . . . . 0.0 110.3 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.32 26.0 34.81 Favored Glycine 0 C--N 1.338 0.681 0 C-N-CA 124.974 1.273 . . . . 0.0 113.028 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.9 t -113.06 116.73 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 125.137 1.375 . . . . 0.0 109.667 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -155.08 95.9 1.78 Allowed 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.99 -137.69 3.78 Favored Glycine 0 CA--C 1.511 -0.212 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.562 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -84.41 113.91 21.52 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 55.6 m95 -89.65 141.62 28.43 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.599 0.76 . . . . 0.0 109.676 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 p -128.19 -176.98 3.97 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.719 1.608 . . . . 0.0 108.487 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -159.71 141.19 12.85 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.668 -1.27 . . . . 0.0 109.681 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -132.11 80.2 1.9 Allowed 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 127.882 2.473 . . . . 0.0 105.581 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.49 -29.35 66.18 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.834 -0.542 . . . . 0.0 111.487 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.97 -28.91 10.9 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.828 2.051 . . . . 0.0 111.147 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 t -136.4 20.26 3.15 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.6 1.96 . . . . 0.0 110.019 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.555 ' HE3' ' CE2' ' A' ' 4' ' ' TYR . 22.1 mtpp 37.77 55.6 1.55 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 128.609 2.763 . . . . 0.0 111.436 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -127.04 140.33 52.37 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -112.63 151.26 30.33 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 104.353 -2.462 . . . . 0.0 104.353 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.2 m -135.11 115.21 13.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 p -102.95 112.08 35.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 C-N-CA 124.084 0.954 . . . . 0.0 108.586 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 m -103.23 100.6 10.51 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 7.6 tm-20 . . . . . 0 C--O 1.247 0.938 0 C-N-CA 127.411 2.284 . . . . 0.0 112.593 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.829 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 m -91.31 140.81 29.42 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 114.054 -1.073 . . . . 0.0 109.66 -178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -121.5 152.77 38.78 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.169 1.788 . . . . 0.0 107.352 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -130.56 145.64 51.92 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 125.684 1.594 . . . . 0.0 109.346 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.0 tp -122.79 138.32 54.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -123.05 102.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.16 104.33 12.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -105.95 74.05 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.673 1.589 . . . . 0.0 110.043 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.43 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -93.72 156.37 22.48 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-O 123.755 1.753 . . . . 0.0 114.628 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -77.25 -13.67 59.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 113.733 -1.234 . . . . 0.0 109.854 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.1 t -127.93 -37.27 1.93 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -135.73 145.72 46.94 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -139.86 161.13 38.31 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.611 1.096 . . . . 0.0 109.967 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.94 179.24 48.91 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 119.093 0.861 . . . . 0.0 111.575 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -148.03 149.31 31.88 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.444 0.698 . . . . 0.0 110.054 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 t -153.31 159.09 42.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.492 1.117 . . . . 0.0 108.494 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.47 139.5 51.58 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 126.229 1.812 . . . . 0.0 106.626 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.34 152.02 38.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -101.84 126.75 48.79 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.15 151.58 50.52 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.207 1.003 . . . . 0.0 110.457 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 m -68.12 -40.93 83.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.372 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -144.48 170.66 15.62 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 126.157 1.783 . . . . 0.0 109.42 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.35 75.26 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.855 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.55 -47.89 74.29 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 119.295 0.952 . . . . 0.0 110.051 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.0 m -58.24 -45.58 87.51 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.72 -50.65 73.12 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.076 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.51 -39.35 90.66 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.706 1.202 . . . . 0.0 111.383 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -66.64 -50.37 63.19 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.404 1.002 . . . . 0.0 109.346 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.19 -51.18 72.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -64.23 -40.33 95.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.542 -1.218 . . . . 0.0 111.674 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.482 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 9.2 mttt -57.01 -48.12 79.24 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 120.318 1.417 . . . . 0.0 109.027 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -62.15 -41.64 98.48 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -61.19 -47.03 88.02 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.797 0.808 . . . . 0.0 111.06 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.64 72.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.059 -1.026 . . . . 0.0 110.934 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -31.86 69.27 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.88 -35.07 79.62 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 118.475 0.579 . . . . 0.0 109.72 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -85.45 -2.38 58.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.258 1.423 . . . . 0.0 109.526 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.71 36.54 53.24 Favored Glycine 0 C--N 1.338 0.64 0 C-N-CA 125.165 1.364 . . . . 0.0 111.349 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -115.35 122.21 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -152.31 103.27 2.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -140.92 -156.73 6.93 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 124.776 1.179 . . . . 0.0 112.391 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -74.97 113.45 12.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.482 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 62.9 m95 -87.66 132.35 34.13 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.979 0.912 . . . . 0.0 110.083 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 p -123.64 169.76 11.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.624 1.97 . . . . 0.0 109.334 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -147.72 147.35 29.83 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 119.75 1.159 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -139.12 91.73 2.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 126.275 1.83 . . . . 0.0 106.668 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.69 -32.13 70.22 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.336 -0.852 . . . . 0.0 111.754 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.9 -24.59 9.53 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.141 1.776 . . . . 0.0 113.376 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.7 t -134.77 2.76 3.19 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.695 1.598 . . . . 0.0 110.45 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.2 mttm 49.19 58.34 5.49 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 128.413 2.685 . . . . 0.0 109.65 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.8 m -127.8 150.2 49.93 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.611 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -122.34 141.39 51.6 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 127.372 2.269 . . . . 0.0 106.014 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.2 m -131.46 130.32 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.91 109.52 28.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 98.69 11.52 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 3.5 tt0 . . . . . 0 C--O 1.249 1.056 0 C-N-CA 126.59 1.956 . . . . 0.0 112.589 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.427 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.3 m -83.24 137.08 34.16 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -116.48 157.8 24.6 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 125.836 1.654 . . . . 0.0 107.01 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -132.98 145.5 50.93 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.647 1.179 . . . . 0.0 109.779 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.8 tp -122.06 142.29 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 mt -127.29 102.13 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.5 mt -81.19 105.1 12.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -108.43 74.56 0.93 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.278 1.031 . . . . 0.0 108.629 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.411 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -95.77 152.91 20.48 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-O 123.074 1.374 . . . . 0.0 113.975 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -63.83 -22.33 66.86 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.967 1.307 . . . . 0.0 110.988 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.0 t -117.93 -36.68 3.57 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.662 1.185 . . . . 0.0 113.034 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.9 tp -135.96 153.04 51.53 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 118.044 -0.979 . . . . 0.0 108.748 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.17 153.62 45.44 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.99 -179.65 44.76 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 123.676 0.655 . . . . 0.0 111.476 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -146.03 157.75 43.87 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.429 1.092 . . . . 0.0 109.782 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.5 t -159.93 163.69 34.02 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.936 1.694 . . . . 0.0 108.373 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 p -138.62 141.86 39.12 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.263 1.425 . . . . 0.0 107.998 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 t -146.9 152.36 38.57 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.629 1.172 . . . . 0.0 108.27 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -98.94 116.87 32.16 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.18 151.58 38.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.202 1.001 . . . . 0.0 109.942 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.9 p -67.24 -39.56 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 123.707 0.803 . . . . 0.0 112.021 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -148.39 164.34 34.41 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.849 1.26 . . . . 0.0 108.366 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -33.15 72.06 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.958 0.903 . . . . 0.0 111.322 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.13 95.16 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 m -66.33 -44.57 82.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 123.788 0.835 . . . . 0.0 109.032 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.61 -47.58 73.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.441 0.696 . . . . 0.0 110.083 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -59.53 -42.73 92.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.86 0.864 . . . . 0.0 111.555 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -63.67 -50.3 69.79 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.136 0.88 . . . . 0.0 110.032 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.0 t -55.91 -51.07 64.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -63.52 -38.38 90.92 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 117.34 -1.314 . . . . 0.0 111.722 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.469 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 2.5 mttt -56.87 -48.02 79.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 120.684 1.583 . . . . 0.0 108.693 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -61.48 -42.77 99.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -62.48 -40.87 98.05 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.453 0.644 . . . . 0.0 111.172 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.15 74.21 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 120.703 -1.248 . . . . 0.0 109.238 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -30.0 68.78 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.504 0.722 . . . . 0.0 109.551 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.51 -38.26 89.17 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.847 0.859 . . . . 0.0 109.213 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -86.82 -2.65 58.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.831 1.652 . . . . 0.0 110.48 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.79 39.38 65.77 Favored Glycine 0 C--N 1.341 0.84 0 C-N-CA 125.631 1.586 . . . . 0.0 111.507 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.4 t -115.98 121.41 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 124.952 1.301 . . . . 0.0 109.108 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -150.5 100.8 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -139.66 -148.27 5.19 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 125.818 1.675 . . . . 0.0 112.463 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -79.52 114.54 18.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.469 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 58.3 m95 -89.85 132.55 35.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.9 p -121.69 172.38 8.18 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.528 1.931 . . . . 0.0 110.01 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -146.42 138.82 25.14 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.894 -1.129 . . . . 0.0 109.072 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.63 83.22 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 127.529 2.332 . . . . 0.0 106.072 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -56.1 -27.94 55.81 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.416 1.086 . . . . 0.0 112.58 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.09 -29.12 60.14 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.671 1.589 . . . . 0.0 111.804 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.2 t -135.55 16.59 3.37 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.357 1.463 . . . . 0.0 109.48 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt 41.1 46.5 2.58 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 128.041 2.536 . . . . 0.0 110.831 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.6 m -109.07 155.32 21.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.025 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -126.42 140.57 52.38 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.777 2.431 . . . . 0.0 106.087 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.0 m -131.17 132.75 44.95 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -115.9 109.2 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.19 97.06 10.4 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.474 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 1.5 tt0 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.249 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m -75.16 137.39 41.29 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 124.291 1.037 . . . . 0.0 110.785 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 21' ' ' ALA . 76.6 m-85 -124.69 157.32 35.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.843 2.057 . . . . 0.0 107.28 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -135.62 146.18 47.63 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.183 1.393 . . . . 0.0 110.193 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.07 139.84 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.4 mt -124.79 103.66 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -83.52 105.1 14.18 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -105.08 73.88 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.7 152.5 21.12 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -64.28 -14.77 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.372 1.469 . . . . 0.0 113.296 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.8 p -142.65 -19.36 0.68 Allowed 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.394 1.477 . . . . 0.0 112.972 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -135.55 132.99 37.91 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 123.664 0.786 . . . . 0.0 109.611 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -139.29 160.3 40.14 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.182 0.515 . . . . 0.0 109.755 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.11 166.55 34.71 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.683 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -133.29 126.46 31.51 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 121.793 -0.828 . . . . 0.0 109.107 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -128.79 164.64 22.59 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.179 1.391 . . . . 0.0 109.044 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 p -145.98 138.64 25.61 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 123.721 0.809 . . . . 0.0 110.099 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.0 t -146.81 151.03 36.46 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.5 128.26 36.48 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' CD2' ' A' ' 4' ' ' TYR . . . -124.21 153.01 42.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.3 m -68.09 -37.66 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 123.532 0.733 . . . . 0.0 110.495 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -150.24 163.82 37.29 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.73 -27.57 69.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.288 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.92 68.56 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 m -62.51 -43.16 99.48 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.085 1.354 . . . . 0.0 109.356 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.59 -49.42 74.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.285 0.564 . . . . 0.0 109.767 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.46 -41.39 94.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 123.485 0.714 . . . . 0.0 111.44 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -64.43 -48.72 74.26 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.52 -0.737 . . . . 0.0 110.883 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.25 -54.77 30.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -58.69 -38.93 79.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.76 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 7.0 mttp -58.7 -49.87 76.0 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.867 1.212 . . . . 0.0 108.753 178.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -57.84 -41.65 82.76 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -67.43 -45.47 76.0 Favored 'General case' 0 C--O 1.226 -0.134 0 O-C-N 123.415 0.447 . . . . 0.0 111.415 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.26 85.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.028 -1.045 . . . . 0.0 109.485 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -31.11 70.94 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.121 0.568 . . . . 0.0 109.653 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.65 -33.0 74.91 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -91.34 -5.86 53.93 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.386 1.474 . . . . 0.0 110.623 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.76 27.96 48.61 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.851 1.691 . . . . 0.0 112.975 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.5 t -101.74 121.16 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 124.619 1.167 . . . . 0.0 108.407 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -149.91 101.41 3.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -137.59 -154.8 6.7 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 125.105 1.336 . . . . 0.0 111.946 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -85.69 115.79 23.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.442 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 62.5 m95 -88.83 136.12 33.17 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.771 0.828 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 p -122.57 167.59 13.2 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.803 1.641 . . . . 0.0 107.551 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -149.67 130.17 13.92 Favored 'General case' 0 CA--C 1.518 -0.255 0 O-C-N 121.095 -1.003 . . . . 0.0 109.509 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -117.61 91.85 3.68 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.499 1.92 . . . . 0.0 106.3 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -57.77 -36.06 71.63 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.006 0.922 . . . . 0.0 111.205 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.84 -35.11 30.74 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.974 1.31 . . . . 0.0 112.374 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 t -121.38 2.96 10.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.979 1.312 . . . . 0.0 111.766 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HE3' ' CE1' ' A' ' 4' ' ' TYR . 17.0 mtpp 47.19 59.99 3.72 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.395 1.878 . . . . 0.0 108.009 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.6 m -134.55 139.62 45.53 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.152 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -112.68 148.5 34.55 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.1 m -133.13 126.17 31.13 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 p -111.15 116.34 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 105.825 -1.916 . . . . 0.0 105.825 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.34 100.96 10.53 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 2.0 tt0 . . . . . 0 C--O 1.251 1.144 0 C-N-CA 125.084 1.354 . . . . 0.0 110.13 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.2 m -83.1 128.42 34.47 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -113.91 144.33 43.23 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.881 1.672 . . . . 0.0 108.026 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -116.87 145.98 43.22 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 124.641 1.176 . . . . 0.0 109.296 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.3 tp -125.78 129.76 50.09 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt -114.75 109.95 30.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.465 1.506 . . . . 0.0 107.064 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.89 105.27 16.95 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -104.22 74.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.401 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -97.28 143.97 17.05 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-O 122.275 0.93 . . . . 0.0 112.058 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -69.94 -18.08 63.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.166 0.586 . . . . 0.0 110.026 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 p -102.49 -55.35 2.47 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 127.226 2.21 . . . . 0.0 109.712 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.0 tp -136.47 144.22 44.25 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 122.61 0.364 . . . . 0.0 111.904 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -129.27 151.86 49.47 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.627 0.771 . . . . 0.0 109.192 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.67 173.3 45.76 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -137.52 156.79 47.72 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.316 1.047 . . . . 0.0 109.908 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 t -153.65 162.21 41.46 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.577 1.951 . . . . 0.0 107.309 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 p -136.77 136.85 39.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.42 HG22 ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -147.05 151.04 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 119.493 1.042 . . . . 0.0 108.81 179.176 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -97.47 125.61 42.24 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.726 -1.954 . . . . 0.0 105.726 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.5 153.13 45.55 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 p -68.22 -35.57 71.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-O 119.179 -0.438 . . . . 0.0 111.351 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -153.24 174.68 13.96 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 125.289 1.436 . . . . 0.0 109.082 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -22.94 67.18 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.664 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.07 -50.51 19.3 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 119.84 1.2 . . . . 0.0 109.387 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.464 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 88.4 m -57.76 -41.97 83.06 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.07 70.78 Favored 'General case' 0 N--CA 1.439 -1.0 0 O-C-N 123.389 0.431 . . . . 0.0 111.802 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.99 -39.95 91.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 50.9 mtmt -66.58 -50.0 64.5 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.301 0.641 . . . . 0.0 110.285 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.0 t -57.66 -56.8 13.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.42 ' CE1' HG22 ' A' ' 19' ' ' THR . 20.8 m-30 -56.53 -40.19 74.67 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-O 118.05 -0.976 . . . . 0.0 112.84 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 2.9 mttp -55.59 -48.33 75.03 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 118.722 0.692 . . . . 0.0 109.681 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -62.26 -41.43 98.44 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -62.34 -40.4 96.23 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-O 121.769 0.795 . . . . 0.0 111.074 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.03 -45.43 70.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 120.384 -1.448 . . . . 0.0 109.502 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -32.82 68.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.345 0.658 . . . . 0.0 109.361 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.86 -40.98 99.16 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.353 1.061 . . . . 0.0 109.346 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -83.87 -2.49 56.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.497 1.119 . . . . 0.0 110.894 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.12 41.89 59.5 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 125.175 1.369 . . . . 0.0 111.159 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.2 t -116.42 122.54 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -154.5 95.96 1.85 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.98 -138.2 3.33 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.528 1.061 . . . . 0.0 113.235 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -84.94 110.73 19.09 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.163 0.985 . . . . 0.0 111.566 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.47 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.6 m95 -85.6 136.69 33.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.806 1.242 . . . . 0.0 109.44 178.103 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.4 p -129.49 172.11 11.88 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.842 2.057 . . . . 0.0 110.51 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -149.23 145.52 27.15 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.738 1.154 . . . . 0.0 109.029 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -137.08 94.48 2.96 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 126.688 1.995 . . . . 0.0 106.081 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -63.21 -26.42 68.79 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.143 0.977 . . . . 0.0 112.673 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.29 -22.44 64.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.382 1.473 . . . . 0.0 113.063 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 t -135.24 10.75 3.53 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.642 1.977 . . . . 0.0 109.45 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt 38.77 52.77 1.92 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 128.29 2.636 . . . . 0.0 110.163 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.2 m -120.37 148.1 44.19 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.347 0.659 . . . . 0.0 110.987 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -119.28 140.35 50.42 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 127.642 2.377 . . . . 0.0 105.773 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.5 m -133.54 135.71 44.54 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -116.24 111.88 37.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.03 103.23 15.14 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 8.4 tt0 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 123.741 0.816 . . . . 0.0 110.271 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.156 -0.377 . . . . 0.0 112.156 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -77.82 139.36 39.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.766 0.827 . . . . 0.0 112.029 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.453 ' CD2' ' HB3' ' A' ' 21' ' ' ALA . 64.2 m-85 -126.86 160.09 31.99 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 127.609 2.364 . . . . 0.0 109.452 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -133.48 146.1 50.8 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.778 1.631 . . . . 0.0 109.691 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 tp -126.84 136.22 52.05 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.1 mt -121.12 107.14 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 105.284 -2.117 . . . . 0.0 105.284 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.7 mt -84.69 105.86 15.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -109.08 74.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.423 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -96.26 150.64 19.68 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-O 122.298 0.943 . . . . 0.0 112.458 -179.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -65.27 -20.43 66.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.653 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.0 p -125.72 -25.34 3.68 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 120.079 1.309 . . . . 0.0 112.032 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 tt -135.18 133.23 38.88 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 119.876 1.216 . . . . 0.0 108.872 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -132.83 154.28 50.47 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.09 178.68 48.2 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -143.77 133.51 23.78 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.391 1.076 . . . . 0.0 110.09 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.7 t -137.73 162.49 33.75 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.061 0.945 . . . . 0.0 109.131 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 p -141.75 137.52 31.69 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 125.91 1.684 . . . . 0.0 108.186 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 t -147.01 152.66 38.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.663 0.785 . . . . 0.0 109.613 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -93.13 122.7 35.78 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' HB3' ' CD2' ' A' ' 4' ' ' TYR . . . -117.16 149.56 40.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.716 0.807 . . . . 0.0 110.278 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m -67.91 -34.58 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 125.959 1.704 . . . . 0.0 111.632 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -158.07 164.04 37.08 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 126.83 2.052 . . . . 0.0 106.921 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.67 -28.77 70.13 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.58 0.752 . . . . 0.0 112.937 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.1 81.28 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.543 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 22.4 m -69.81 -34.84 74.25 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.43 73.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.82 -42.75 99.86 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.886 1.674 . . . . 0.0 110.191 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.543 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 44.9 mtmt -62.77 -48.14 80.44 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 120.923 -1.111 . . . . 0.0 110.309 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.6 t -61.55 -54.06 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -60.08 -39.73 87.08 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 117.365 -1.303 . . . . 0.0 111.298 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.4 OUTLIER -58.51 -47.9 82.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.457 1.48 . . . . 0.0 108.98 178.359 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -58.81 -43.1 90.48 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -67.7 -47.88 68.14 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.645 0.59 . . . . 0.0 112.149 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.95 92.6 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.581 -0.7 . . . . 0.0 110.166 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -32.42 73.91 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.12 -32.26 73.6 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -88.81 -6.07 57.62 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.291 1.036 . . . . 0.0 110.572 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.13 28.26 41.74 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 126.01 1.767 . . . . 0.0 113.224 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -106.46 121.14 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -147.97 104.29 3.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -142.08 -148.66 5.05 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.916 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -84.33 114.38 21.82 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 52.1 m95 -87.99 131.29 34.68 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.4 p -118.65 174.08 6.48 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 125.251 1.42 . . . . 0.0 109.007 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -150.01 134.56 17.46 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.366 -0.834 . . . . 0.0 109.988 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -122.53 86.48 2.59 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 128.961 2.904 . . . . 0.0 105.599 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.1 -39.28 66.23 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.661 1.184 . . . . 0.0 111.75 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.03 13.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.549 1.54 . . . . 0.0 113.639 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 t -129.39 13.12 6.04 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.576 1.15 . . . . 0.0 111.141 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt 43.7 56.11 4.7 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 125.367 1.467 . . . . 0.0 108.984 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 78.5 m -128.46 142.23 51.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.365 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -118.39 150.58 39.29 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 104.447 -2.427 . . . . 0.0 104.447 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.1 m -134.67 138.21 44.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.82 107.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 103.15 15.13 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 105.138 -2.171 . . . . 0.0 105.138 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.491 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 15.9 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 124.357 1.063 . . . . 0.0 111.451 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.741 0 CA-C-O 122.007 0.781 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 m -84.31 129.3 34.89 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 124.364 1.066 . . . . 0.0 111.668 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -113.25 154.45 26.75 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.576 1.15 . . . . 0.0 108.986 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -130.64 143.83 51.02 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.864 1.266 . . . . 0.0 107.632 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.1 tp -119.32 141.21 49.21 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mt -125.22 109.96 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.8 mt -86.57 105.13 16.63 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -103.24 73.43 1.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 103.255 -2.868 . . . . 0.0 103.255 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.65 141.03 15.39 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -63.34 -18.41 63.61 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.89 0.876 . . . . 0.0 111.416 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.2 p -121.45 -34.31 3.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 118.832 -0.604 . . . . 0.0 111.761 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.427 HD22 ' HB3' ' A' ' 38' ' ' ASN . 7.0 tt -136.45 130.61 32.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 125.119 1.367 . . . . 0.0 110.078 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -122.53 160.57 25.35 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.74 178.49 48.48 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -147.29 148.7 31.69 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.93 1.292 . . . . 0.0 109.268 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.2 t -151.39 164.12 37.42 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 125.475 1.51 . . . . 0.0 107.027 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -138.87 140.3 38.4 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.082 1.353 . . . . 0.0 108.283 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -146.89 151.28 36.79 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.87 114.97 29.29 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.36 156.09 30.73 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.401 0.62 . . . . 0.0 110.465 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.92 -36.28 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 118.38 -0.819 . . . . 0.0 112.086 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -154.13 166.47 33.0 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.48 -29.56 70.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.534 0.733 . . . . 0.0 111.33 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.83 -45.9 87.47 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.762 0.71 . . . . 0.0 109.971 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 m -67.1 -43.58 82.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -47.76 76.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.156 0.582 . . . . 0.0 110.709 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -56.82 -45.35 82.36 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.243 1.417 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -66.81 -49.98 64.07 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.189 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 t -54.22 -52.78 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -63.35 -40.45 97.31 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 117.203 -1.379 . . . . 0.0 111.237 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.518 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 1.4 mmtt -55.94 -47.48 77.48 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 120.993 1.724 . . . . 0.0 109.132 178.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -61.06 -44.86 96.76 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -63.69 -42.37 98.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.357 0.598 . . . . 0.0 110.927 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.39 -45.56 75.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 120.352 -1.468 . . . . 0.0 109.779 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -32.03 68.3 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.85 -43.04 89.64 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 121.546 0.689 . . . . 0.0 109.191 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' HB3' HD22 ' A' ' 13' ' ' LEU . 39.3 m-80 -77.96 -5.81 52.4 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.168 0.987 . . . . 0.0 110.237 178.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.61 36.91 53.22 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 125.387 1.47 . . . . 0.0 111.266 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.84 121.43 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 125.59 1.556 . . . . 0.0 106.89 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -156.13 105.01 2.3 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.69 -142.84 4.15 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 124.121 0.867 . . . . 0.0 111.266 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -81.73 115.25 20.88 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.518 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 51.1 m95 -87.55 132.76 33.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.6 p -123.92 171.77 9.44 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 126.486 1.914 . . . . 0.0 110.028 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -151.19 146.31 26.01 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 120.74 -1.225 . . . . 0.0 109.838 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -140.59 93.43 2.61 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.13 -29.04 65.22 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.357 1.463 . . . . 0.0 111.436 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.69 -30.2 13.13 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 127.023 2.129 . . . . 0.0 111.864 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.3 t -135.64 15.65 3.38 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.928 1.291 . . . . 0.0 108.553 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm 41.65 51.77 3.94 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 126.365 1.866 . . . . 0.0 109.185 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -117.02 149.79 39.69 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.893 -0.504 . . . . 0.0 109.945 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -124.09 142.38 51.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.231 2.213 . . . . 0.0 106.245 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -134.0 137.23 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.82 111.51 35.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.38 96.07 7.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 . . . . . 0 C--O 1.248 0.984 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.068 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 m -85.43 113.5 21.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 104.143 -2.539 . . . . 0.0 104.143 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 21' ' ' ALA . 57.8 m-85 -92.98 164.28 13.35 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -133.96 146.5 50.52 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 124.71 1.204 . . . . 0.0 111.374 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -122.89 137.88 54.82 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 125.123 1.369 . . . . 0.0 108.294 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 mt -119.63 100.3 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.0 mt -79.05 107.49 11.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 104.2 -2.518 . . . . 0.0 104.2 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -111.34 74.94 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -97.77 147.14 18.51 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-O 121.783 0.657 . . . . 0.0 112.606 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -60.49 -27.13 67.33 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 124.99 1.316 . . . . 0.0 110.412 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -110.67 -45.74 3.47 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 124.502 1.121 . . . . 0.0 110.185 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 tp -135.3 127.8 30.59 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 119.714 1.143 . . . . 0.0 112.24 -178.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 156.78 24.49 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.231 1.413 . . . . 0.0 109.275 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.95 170.02 40.98 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 124.006 0.812 . . . . 0.0 111.847 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.61 139.86 49.26 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.43 1.492 . . . . 0.0 108.622 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 t -147.12 166.01 28.23 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.019 1.328 . . . . 0.0 108.362 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -141.44 150.45 42.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.515 1.126 . . . . 0.0 109.512 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.483 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 1.2 t -145.93 146.84 31.21 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -91.79 110.74 22.08 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 103.516 -2.772 . . . . 0.0 103.516 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB3' ' CD1' ' A' ' 4' ' ' TYR . . . -115.16 141.18 48.37 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -179.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.53 -34.65 69.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.093 0.957 . . . . 0.0 110.544 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -142.76 162.92 34.19 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.331 1.452 . . . . 0.0 107.77 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.27 -23.96 67.18 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 119.19 -0.433 . . . . 0.0 110.272 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.73 -50.92 54.83 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.435 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 4.6 m -58.66 -40.53 83.74 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.813 0.845 . . . . 0.0 109.11 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.94 -51.74 66.88 Favored 'General case' 0 C--N 1.343 0.314 0 O-C-N 123.664 0.602 . . . . 0.0 110.162 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -51.78 -47.73 64.09 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 125.125 1.37 . . . . 0.0 111.168 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 51.4 mtmt -65.77 -49.86 66.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 124.739 1.215 . . . . 0.0 111.178 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.81 -46.32 87.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.483 ' CZ ' HG22 ' A' ' 19' ' ' THR . 24.2 m-85 -62.81 -40.57 97.78 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 117.684 -1.15 . . . . 0.0 111.118 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 24.7 mttp -58.67 -48.88 79.57 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 119.999 1.272 . . . . 0.0 109.615 178.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -57.83 -42.02 83.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.45 -50.39 71.63 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 124.147 0.905 . . . . 0.0 111.215 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.34 77.83 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.201 -0.937 . . . . 0.0 111.981 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -31.4 69.95 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.543 0.737 . . . . 0.0 110.287 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.1 -31.39 72.23 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.844 0.858 . . . . 0.0 109.707 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -95.15 0.65 54.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.126 1.37 . . . . 0.0 111.379 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.14 26.63 52.08 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.713 1.149 . . . . 0.0 114.151 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 t -108.56 118.78 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 125.245 1.418 . . . . 0.0 108.472 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -152.49 84.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.04 -152.69 8.46 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 125.081 1.324 . . . . 0.0 111.563 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -82.39 107.55 15.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.527 1.131 . . . . 0.0 108.809 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 65.6 m95 -79.4 138.95 37.83 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.57 1.148 . . . . 0.0 109.062 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.7 p -125.34 -168.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 126.538 1.935 . . . . 0.0 107.768 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -165.09 145.1 7.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.428 1.491 . . . . 0.0 107.364 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -133.82 87.18 2.35 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -56.86 -35.39 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 123.122 0.569 . . . . 0.0 112.141 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.9 -29.63 12.53 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.856 1.662 . . . . 0.0 112.586 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 t -135.62 19.29 3.31 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.993 1.317 . . . . 0.0 109.2 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 34.42 59.48 0.63 Allowed 'General case' 0 C--N 1.347 0.467 0 C-N-CA 128.323 2.649 . . . . 0.0 110.93 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.7 m -126.82 150.62 49.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.659 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -124.01 152.25 42.79 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.071 -2.196 . . . . 0.0 105.071 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -131.65 138.8 48.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.16 107.03 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 103.865 -2.642 . . . . 0.0 103.865 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.35 97.47 9.86 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.756 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.242 0.684 0 N-CA-C 103.219 -2.882 . . . . 0.0 103.219 177.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.519 0 CA-C-O 121.634 0.574 . . . . 0.0 111.74 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 m -82.61 114.6 21.11 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -92.9 164.32 13.36 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 126.239 1.816 . . . . 0.0 106.81 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -133.57 146.86 51.39 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.453 1.101 . . . . 0.0 111.198 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.6 tp -124.87 141.78 51.89 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.8 mt -124.92 106.22 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 126.05 1.74 . . . . 0.0 107.048 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.3 mt -85.86 105.0 16.04 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -107.36 74.3 0.96 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.28 1.832 . . . . 0.0 106.413 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.67 155.41 18.35 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-O 123.265 1.48 . . . . 0.0 115.587 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -72.93 -13.36 61.24 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.919 1.688 . . . . 0.0 111.294 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.1 p -130.79 -35.11 1.46 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 119.259 0.936 . . . . 0.0 112.868 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -135.69 144.53 46.01 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -142.05 160.5 40.09 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.427 1.091 . . . . 0.0 108.538 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.38 169.28 33.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -130.6 152.01 50.44 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 120.918 -1.342 . . . . 0.0 108.441 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -151.21 165.01 35.27 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -134.16 146.23 49.99 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.39 151.55 38.45 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -101.24 117.72 35.54 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.06 153.63 46.58 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.814 0.816 . . . . 0.0 110.823 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.28 -41.17 86.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.458 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -145.09 161.8 38.57 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 125.417 1.487 . . . . 0.0 108.409 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.5 -33.93 68.54 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.424 0.69 . . . . 0.0 109.277 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.41 93.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.123 0.969 . . . . 0.0 110.867 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 m -75.26 -39.98 59.3 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.37 -44.81 80.53 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.79 -40.0 86.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.345 1.058 . . . . 0.0 111.21 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -66.11 -50.83 62.67 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.256 0.934 . . . . 0.0 109.576 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -57.53 -46.85 86.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.66 0.6 . . . . 0.0 109.473 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -66.13 -40.48 90.7 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 117.679 -1.153 . . . . 0.0 111.168 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.528 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.5 mttt -55.89 -48.46 75.56 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 120.167 1.349 . . . . 0.0 108.442 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -63.31 -42.5 99.03 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.597 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.41 -45.53 93.27 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-O 121.672 0.749 . . . . 0.0 110.434 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.67 -49.32 69.02 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.16 -0.962 . . . . 0.0 110.717 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.46 -32.49 68.78 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.489 0.716 . . . . 0.0 109.633 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -66.02 -36.88 84.45 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -84.17 -4.65 58.95 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.336 1.054 . . . . 0.0 109.973 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.89 36.41 41.89 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 124.881 1.229 . . . . 0.0 112.105 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -114.54 125.23 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -156.34 104.59 2.23 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 177.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.433 ' H ' ' CG2' ' A' ' 55' ' ' VAL . . . -138.22 -155.12 6.69 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 124.843 1.211 . . . . 0.0 110.973 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -78.37 111.78 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.528 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 60.5 m95 -82.56 138.45 34.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.392 1.477 . . . . 0.0 110.048 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.3 p -129.71 172.29 11.77 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.616 1.966 . . . . 0.0 110.472 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -142.39 133.34 25.77 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 120.791 -1.193 . . . . 0.0 109.084 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -123.18 80.52 1.78 Allowed 'General case' 0 C--O 1.236 0.361 0 C-N-CA 127.578 2.351 . . . . 0.0 106.159 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -52.56 -32.86 43.05 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.93 1.292 . . . . 0.0 112.739 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.63 -29.8 11.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.404 2.282 . . . . 0.0 113.011 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.0 t -136.03 17.8 3.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.508 1.923 . . . . 0.0 107.092 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? 36.21 52.28 0.87 Allowed 'General case' 0 C--N 1.35 0.589 0 C-N-CA 128.586 2.754 . . . . 0.0 109.939 -178.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -113.01 157.33 21.66 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 113.881 -1.508 . . . . 0.0 109.596 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -128.34 145.5 51.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.392 2.277 . . . . 0.0 106.915 178.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.6 m -134.74 138.26 44.19 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.433 ' CG2' ' H ' ' A' ' 42' ' ' GLY . 4.1 p -119.92 112.98 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 178.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.06 96.05 6.98 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.873 0.368 . . . . 0.0 110.54 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 C--O 1.246 0.887 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 178.238 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.503 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -81.29 114.25 19.95 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -96.9 162.86 13.21 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.689 1.196 . . . . 0.0 107.808 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -137.22 147.86 46.1 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 123.968 0.907 . . . . 0.0 111.298 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.48 HD21 HD21 ' A' ' 8' ' ' LEU . 40.6 tp -129.69 129.87 44.79 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.8 mt -109.95 112.43 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.48 HD21 HD21 ' A' ' 6' ' ' LEU . 86.9 mt -91.71 109.08 20.39 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -110.66 75.09 0.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.482 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -89.86 152.92 22.7 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-O 121.796 0.664 . . . . 0.0 112.538 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -67.03 -22.25 65.89 Favored 'General case' 0 CA--C 1.518 -0.255 0 O-C-N 122.136 -0.626 . . . . 0.0 110.771 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.7 p -119.43 -33.72 4.01 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 117.488 -1.244 . . . . 0.0 111.549 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -135.84 143.13 44.94 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.781 1.173 . . . . 0.0 109.746 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.41 156.53 48.77 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.31 -178.41 44.2 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.406 1.003 . . . . 0.0 111.544 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -143.93 143.67 31.36 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 125.661 1.585 . . . . 0.0 109.093 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 t -147.86 167.49 24.66 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.792 1.237 . . . . 0.0 108.663 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.4 p -144.34 146.62 32.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.463 1.105 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.412 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 4.4 t -146.83 139.04 24.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.096 0.407 . . . . 0.0 110.596 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -89.85 105.88 18.1 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 103.016 -2.957 . . . . 0.0 103.016 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.3 156.25 21.81 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 123.384 0.674 . . . . 0.0 109.534 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.1 p -67.91 -40.77 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.023 0.929 . . . . 0.0 110.886 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.98 166.38 27.89 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.99 0.916 . . . . 0.0 108.691 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.48 -37.87 76.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.951 1.3 . . . . 0.0 111.694 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.15 -49.41 72.23 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.469 0.652 . . . . 0.0 109.531 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -43.11 96.04 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.949 0.9 . . . . 0.0 109.63 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.88 71.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.85 -44.13 77.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.567 1.547 . . . . 0.0 111.411 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.57 -47.23 82.36 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 121.484 -0.76 . . . . 0.0 109.934 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -60.36 -46.72 94.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CZ ' HG22 ' A' ' 19' ' ' THR . 13.6 m-85 -63.22 -40.81 98.52 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 117.334 -1.317 . . . . 0.0 111.232 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -59.36 -47.09 86.75 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.051 1.75 . . . . 0.0 109.923 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -59.46 -42.11 91.27 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -67.9 -48.96 64.57 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 124.032 0.933 . . . . 0.0 111.112 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.28 84.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.008 -1.057 . . . . 0.0 109.577 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -32.72 74.27 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -63.48 -26.24 68.63 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.151 0.581 . . . . 0.0 109.96 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -98.14 -2.73 39.29 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.989 1.316 . . . . 0.0 109.724 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.47 33.25 44.11 Favored Glycine 0 C--N 1.338 0.639 0 C-N-CA 126.336 1.922 . . . . 0.0 112.352 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.87 120.93 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 125.286 1.434 . . . . 0.0 107.256 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -149.64 102.4 3.16 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -139.69 -152.14 5.8 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 123.649 0.642 . . . . 0.0 112.245 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -82.88 114.94 21.53 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -86.14 140.05 30.55 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 122.808 0.443 . . . . 0.0 109.906 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.6 p -127.48 -178.84 4.62 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.706 1.602 . . . . 0.0 109.1 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -155.41 133.86 11.77 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.313 -0.867 . . . . 0.0 109.43 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -119.61 85.98 2.47 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 129.339 3.056 . . . . 0.0 106.731 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -52.87 -37.96 61.05 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.188 1.395 . . . . 0.0 112.021 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.19 -26.96 5.15 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.675 1.99 . . . . 0.0 113.517 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.2 t -135.18 11.02 3.55 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.961 1.704 . . . . 0.0 109.826 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.252 4.6 ptpp? 40.66 58.66 2.34 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.928 2.091 . . . . 0.0 109.312 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.3 m -129.43 140.58 51.27 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.835 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -108.41 152.08 25.16 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.2 m -132.97 136.16 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 178.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.9 p -120.79 111.06 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 m -102.54 104.62 15.04 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.482 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 16.5 tt0 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 125.624 1.57 . . . . 0.0 109.328 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 121.708 0.616 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -79.25 113.58 17.5 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -92.42 162.84 14.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -133.62 146.7 51.16 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 123.944 0.898 . . . . 0.0 111.251 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.46 HD21 HD21 ' A' ' 8' ' ' LEU . 60.6 tp -125.67 143.79 50.88 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.218 1.407 . . . . 0.0 108.652 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.6 mt -127.44 109.3 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 126.706 2.002 . . . . 0.0 106.847 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.46 HD21 HD21 ' A' ' 6' ' ' LEU . 90.9 mt -90.24 105.14 17.61 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -107.59 74.58 0.97 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 124.774 1.23 . . . . 0.0 108.353 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.41 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -97.38 152.02 19.9 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-O 123.186 1.437 . . . . 0.0 114.592 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -75.67 -9.63 58.75 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 126.183 1.793 . . . . 0.0 110.637 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.8 p -116.02 -49.3 2.71 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.775 1.23 . . . . 0.0 109.892 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.7 tp -136.69 158.86 43.46 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 125.546 1.538 . . . . 0.0 108.966 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.63 157.22 46.55 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.65 1.58 . . . . 0.0 107.435 176.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.18 177.16 46.51 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.57 1.081 . . . . 0.0 111.132 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -149.47 152.77 36.21 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.079 0.952 . . . . 0.0 109.759 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.1 t -156.85 171.61 20.1 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.508 1.123 . . . . 0.0 109.476 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 p -137.56 146.48 44.13 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.68 1.992 . . . . 0.0 108.051 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 t -145.79 151.74 38.42 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -99.92 119.33 38.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.61 144.58 51.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.369 0.604 . . . . 0.0 110.197 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.4 p -67.79 -41.42 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 114.509 -1.223 . . . . 0.0 112.16 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -139.88 163.23 33.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.572 1.149 . . . . 0.0 108.293 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.52 -37.28 67.7 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.584 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.89 75.72 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -58.29 -48.59 79.99 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.834 1.654 . . . . 0.0 109.26 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.35 -47.84 80.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.569 0.748 . . . . 0.0 110.742 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -61.26 -37.33 82.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.344 0.657 . . . . 0.0 111.619 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -70.91 -50.56 33.5 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.956 0.798 . . . . 0.0 110.315 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.6 t -55.93 -46.98 80.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 O-C-N 123.934 0.772 . . . . 0.0 109.217 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -67.93 -40.29 83.34 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 117.24 -1.362 . . . . 0.0 110.963 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -56.33 -48.31 77.0 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 120.564 1.529 . . . . 0.0 109.188 178.17 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -61.64 -42.27 98.66 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -61.35 -47.46 85.79 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.373 0.606 . . . . 0.0 110.039 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.5 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.016 -1.053 . . . . 0.0 110.886 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -33.34 70.99 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -67.89 -28.55 67.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.431 0.692 . . . . 0.0 109.447 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -91.43 -2.33 57.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.535 1.134 . . . . 0.0 109.166 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.35 38.56 70.76 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 125.135 1.35 . . . . 0.0 111.258 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.39 122.92 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -152.09 102.77 2.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.29 -153.98 6.08 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 124.358 0.98 . . . . 0.0 111.196 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -76.26 111.63 11.9 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.295 0.638 . . . . 0.0 109.695 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.492 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.2 m95 -82.71 132.37 35.18 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.3 p -127.49 169.23 13.9 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 128.028 2.531 . . . . 0.0 108.96 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.405 ' CZ ' ' HA ' ' A' ' 48' ' ' ASP . 56.5 t80 -143.74 144.45 31.83 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.352 1.061 . . . . 0.0 109.039 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.62 87.33 2.61 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.448 2.299 . . . . 0.0 105.31 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.405 ' HA ' ' CZ ' ' A' ' 46' ' ' TYR . 23.2 t70 -53.99 -34.76 60.73 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.951 1.301 . . . . 0.0 113.119 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.58 -25.6 39.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.317 2.247 . . . . 0.0 114.144 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -136.38 14.95 3.22 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.338 1.855 . . . . 0.0 108.619 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt 37.05 50.77 0.94 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 127.434 2.293 . . . . 0.0 110.029 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.4 m -116.42 157.22 25.46 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.708 1.203 . . . . 0.0 109.993 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -127.81 146.67 50.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 127.036 2.134 . . . . 0.0 108.155 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.7 m -135.51 128.17 30.88 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -109.64 109.85 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 98.03 9.22 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.059 0.544 . . . . 0.0 110.406 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.41 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 5.1 tt0 . . . . . 0 C--O 1.248 1.003 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.496 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 m -81.09 117.16 21.43 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -96.09 164.24 12.78 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 126.993 2.117 . . . . 0.0 107.046 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.59 146.64 49.79 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.189 0.996 . . . . 0.0 111.118 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.403 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 31.2 tp -122.06 138.1 54.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -119.2 109.0 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 126.276 1.83 . . . . 0.0 106.301 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.9 mt -87.41 105.18 17.1 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 104.913 -2.255 . . . . 0.0 104.913 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -108.4 74.47 0.93 Allowed 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.785 1.634 . . . . 0.0 107.521 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.86 156.96 19.27 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-O 123.465 1.592 . . . . 0.0 114.742 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -73.69 -18.99 60.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 113.677 -1.261 . . . . 0.0 111.458 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.8 p -122.09 -40.77 2.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.94 1.696 . . . . 0.0 113.572 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 38' ' ' ASN . 8.3 tt -132.59 139.01 47.61 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -178.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -135.1 161.05 36.43 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.441 1.096 . . . . 0.0 108.822 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.82 -178.63 45.63 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -145.0 146.11 31.78 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.3 t -149.48 161.07 42.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 p -131.83 147.75 52.5 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.411 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 1.3 t -145.75 151.4 37.92 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -101.29 109.07 20.87 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.64 147.82 40.38 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.509 0.671 . . . . 0.0 109.933 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 m -67.73 -39.54 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.75 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.7 p30 -145.9 174.01 11.63 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 126.447 1.899 . . . . 0.0 108.861 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.86 76.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.082 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.79 -50.62 71.6 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 118.616 -0.707 . . . . 0.0 112.461 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.2 m -62.64 -44.54 96.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.11 70.71 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.673 0.669 . . . . 0.0 110.501 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.83 -45.88 82.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.361 1.064 . . . . 0.0 111.74 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -66.48 -50.2 64.1 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.267 0.627 . . . . 0.0 110.509 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -55.82 -48.58 78.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.411 ' CZ ' HG22 ' A' ' 19' ' ' THR . 16.2 m-85 -62.81 -43.57 98.45 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.787 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -54.47 -49.99 68.8 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 119.107 0.867 . . . . 0.0 110.052 179.045 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -62.61 -41.86 99.23 Favored 'General case' 0 N--CA 1.436 -1.129 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -60.71 -46.06 91.84 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.323 0.582 . . . . 0.0 110.788 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.54 -48.65 71.75 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.225 -0.922 . . . . 0.0 110.684 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -32.56 68.51 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.193 0.597 . . . . 0.0 109.469 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -67.61 -32.83 73.83 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.406 ' HB3' HD22 ' A' ' 13' ' ' LEU . 24.8 m-80 -85.26 -2.4 58.01 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.761 0.825 . . . . 0.0 109.208 177.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.36 20.79 74.3 Favored Glycine 0 C--N 1.338 0.669 0 C-N-CA 125.875 1.702 . . . . 0.0 112.841 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -97.87 122.52 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -151.17 103.28 3.01 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.72 -155.07 6.34 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 124.525 1.059 . . . . 0.0 111.368 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -79.23 112.12 16.14 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.563 1.145 . . . . 0.0 108.704 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.52 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 58.9 m95 -86.71 132.58 33.83 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.237 1.415 . . . . 0.0 110.635 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.1 p -124.22 176.02 6.68 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.945 2.098 . . . . 0.0 110.888 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -144.99 134.66 23.39 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 121.226 -0.921 . . . . 0.0 109.6 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -122.57 83.34 2.1 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 127.563 2.345 . . . . 0.0 105.701 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -55.48 -33.43 63.68 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.666 0.787 . . . . 0.0 112.178 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.23 -28.28 7.37 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.494 1.917 . . . . 0.0 113.41 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 t -135.49 17.09 3.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.774 1.63 . . . . 0.0 108.366 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? 38.45 55.49 1.84 Allowed 'General case' 0 C--N 1.345 0.413 0 C-N-CA 127.748 2.419 . . . . 0.0 109.726 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.6 m -118.8 156.75 28.86 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 113.924 -1.489 . . . . 0.0 109.783 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -127.01 142.29 51.58 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 128.025 2.53 . . . . 0.0 106.55 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 m -132.04 136.49 47.27 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -117.79 113.41 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.68 99.41 9.67 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.051 0 C-N-CA 125.126 1.37 . . . . 0.0 109.205 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.95 -179.07 17.67 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 126.397 1.951 . . . . 0.0 109.822 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -100.07 120.47 39.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -99.42 159.01 15.33 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 124.445 1.098 . . . . 0.0 108.164 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -132.71 145.44 51.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.273 1.029 . . . . 0.0 108.45 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.3 tp -122.15 138.42 54.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.9 mt -121.27 105.8 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.9 mt -85.3 105.09 15.71 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -107.52 73.91 0.94 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.412 1.485 . . . . 0.0 108.617 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -97.0 152.93 20.2 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-O 123.036 1.353 . . . . 0.0 115.09 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' H ' ' HB3' ' A' ' 57' ' ' GLU . 22.4 mmmt -69.87 -25.0 63.51 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.465 1.106 . . . . 0.0 109.477 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.8 p -109.29 -49.36 3.13 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 124.157 0.983 . . . . 0.0 112.639 -176.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 tt -135.25 148.16 49.5 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 125.02 1.328 . . . . 0.0 108.791 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -135.39 161.61 34.94 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 125.957 1.703 . . . . 0.0 109.906 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.46 -179.03 48.9 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.809 0.719 . . . . 0.0 111.589 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -147.07 149.8 33.79 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.179 0.991 . . . . 0.0 109.609 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 t -150.94 164.27 36.75 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.539 1.536 . . . . 0.0 108.134 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 p -140.35 139.87 35.46 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.669 1.587 . . . . 0.0 108.348 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 t -146.59 151.48 37.38 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -93.82 112.09 23.89 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.9 145.38 44.68 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.761 0.791 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.0 m -67.27 -32.38 57.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.145 1.378 . . . . 0.0 113.108 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -153.02 167.62 28.59 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.603 1.961 . . . . 0.0 108.15 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.82 73.0 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.657 0.783 . . . . 0.0 112.361 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.96 -47.96 70.02 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 119.13 0.877 . . . . 0.0 109.47 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 m -59.03 -44.43 91.74 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.78 -51.09 71.46 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.682 0.277 . . . . 0.0 111.112 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.06 -38.76 90.01 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.683 1.193 . . . . 0.0 111.474 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -68.46 -49.6 58.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.279 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.9 t -56.1 -50.64 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -63.89 -40.89 97.57 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 117.118 -1.42 . . . . 0.0 111.639 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.503 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.4 mttt -56.55 -49.49 74.68 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 120.673 1.579 . . . . 0.0 109.371 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -59.58 -44.05 93.46 Favored 'General case' 0 N--CA 1.434 -1.236 0 C-N-CA 123.722 0.809 . . . . 0.0 109.078 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -64.47 -45.31 87.95 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.453 0.644 . . . . 0.0 112.102 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.86 75.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 120.833 -1.167 . . . . 0.0 110.452 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -32.03 69.24 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.181 0.592 . . . . 0.0 109.68 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -67.13 -38.61 85.87 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -79.25 -4.83 52.54 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.694 0.798 . . . . 0.0 109.305 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.25 31.07 53.35 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 125.802 1.667 . . . . 0.0 111.716 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.1 t -109.86 123.85 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -152.44 104.18 2.9 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.48 -157.0 6.99 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 125.268 1.413 . . . . 0.0 111.247 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -74.31 113.33 11.41 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.503 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.2 m95 -85.48 132.69 34.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.49 0.716 . . . . 0.0 109.399 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -126.58 171.88 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 127.519 2.328 . . . . 0.0 109.365 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -146.79 149.38 33.24 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 124.208 1.003 . . . . 0.0 108.79 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.95 91.28 2.68 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 127.055 2.142 . . . . 0.0 105.386 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.38 -28.76 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.758 0.823 . . . . 0.0 111.481 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.45 -34.43 24.71 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 126.81 2.044 . . . . 0.0 112.124 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.6 t -136.16 13.96 3.3 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.152 0.581 . . . . 0.0 110.548 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttp 50.05 62.29 2.74 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 128.263 2.625 . . . . 0.0 111.682 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.9 m -129.12 154.43 46.72 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.247 0.619 . . . . 0.0 111.212 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -125.36 144.1 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 126.666 1.986 . . . . 0.0 106.988 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 m -134.92 127.43 30.62 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.9 p -110.37 113.1 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.15 95.95 6.89 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.083 0.553 . . . . 0.0 110.409 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 3.6 tt0 . . . . . 0 C--O 1.245 0.863 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 12.2 ttt . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.39 -171.92 20.97 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 124.923 1.249 . . . . 0.0 110.995 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.4 m -77.28 135.84 38.46 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.629 0.772 . . . . 0.0 110.042 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -122.38 157.07 32.66 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 126.649 1.98 . . . . 0.0 106.738 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -134.29 146.86 50.42 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 124.837 1.255 . . . . 0.0 111.274 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.454 HD21 HD21 ' A' ' 8' ' ' LEU . 60.4 tp -124.64 134.08 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mt -116.39 107.55 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.454 HD21 HD21 ' A' ' 6' ' ' LEU . 70.2 mt -87.07 106.84 18.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -105.26 74.67 1.11 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.422 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -90.86 147.98 19.21 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.391 -1.083 . . . . 0.0 110.391 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -72.55 -14.63 61.68 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.569 -0.959 . . . . 0.0 110.254 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -48.64 3.07 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.194 2.197 . . . . 0.0 110.098 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.7 tp -135.68 144.35 45.94 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.001 1.273 . . . . 0.0 110.444 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HE3' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -131.15 148.55 52.73 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.525 0.73 . . . . 0.0 109.772 179.323 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.57 179.42 42.06 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 123.53 0.586 . . . . 0.0 113.332 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -142.63 136.31 29.0 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 124.428 1.091 . . . . 0.0 111.169 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -139.42 165.04 28.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.458 1.503 . . . . 0.0 109.458 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.5 p -144.17 145.25 31.97 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.423 1.089 . . . . 0.0 110.075 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -146.94 152.38 38.55 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.716 1.206 . . . . 0.0 109.204 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -95.12 117.05 29.54 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -120.98 154.43 36.01 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 123.285 0.634 . . . . 0.0 110.668 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.28 -39.11 80.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 124.134 0.974 . . . . 0.0 110.885 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -148.17 163.89 35.59 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.72 70.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 118.959 -0.543 . . . . 0.0 110.785 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -48.23 76.5 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.414 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -61.85 -41.7 98.13 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 126.46 1.904 . . . . 0.0 108.584 178.782 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.65 69.59 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.17 -42.53 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 126.697 1.999 . . . . 0.0 109.587 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 36.6 mtmt -66.68 -48.65 68.66 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 121.019 -1.05 . . . . 0.0 110.663 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.6 t -60.78 -50.89 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -59.55 -38.73 81.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.027 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -58.27 -47.94 82.03 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 120.432 1.469 . . . . 0.0 109.669 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -59.49 -42.02 91.16 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -68.8 -45.99 69.83 Favored 'General case' 0 C--O 1.226 -0.158 0 O-C-N 123.743 0.652 . . . . 0.0 112.157 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.72 89.56 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 120.888 -1.133 . . . . 0.0 108.98 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -31.6 72.61 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.05 -29.2 70.63 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.465 0.575 . . . . 0.0 109.883 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -94.92 -0.9 53.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.075 1.35 . . . . 0.0 110.087 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.35 27.87 58.86 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 126.515 2.007 . . . . 0.0 112.696 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 t -105.41 119.12 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 125.207 1.403 . . . . 0.0 108.558 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -148.52 101.58 3.24 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -140.64 -148.13 5.08 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 124.18 0.895 . . . . 0.0 113.009 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -86.2 112.92 21.8 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -87.83 134.27 33.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.333 1.053 . . . . 0.0 111.784 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.0 p -123.26 169.55 11.18 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.681 1.992 . . . . 0.0 109.44 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -147.31 121.53 9.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.902 1.228 . . . . 0.0 111.463 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -106.7 84.67 2.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.89 2.876 . . . . 0.0 105.35 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -53.76 -36.37 62.28 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.551 1.14 . . . . 0.0 113.085 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.72 -37.58 63.46 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.916 0.886 . . . . 0.0 112.763 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.6 t -111.81 -1.65 15.51 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.478 1.111 . . . . 0.0 111.633 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt 54.71 55.18 8.18 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 126.123 1.769 . . . . 0.0 106.885 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.1 m -130.07 144.25 51.24 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.064 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -115.68 149.2 38.76 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 176.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.9 m -131.59 132.56 44.18 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 p -116.44 111.74 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 m -100.13 101.29 12.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 52.0 tt0 . . . . . 0 C--O 1.246 0.87 0 C-N-CA 127.029 2.131 . . . . 0.0 110.694 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.551 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 10.8 ttt . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 114.0 175.88 19.03 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 126.091 1.805 . . . . 0.0 109.771 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -77.96 115.78 17.95 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -99.61 157.45 16.45 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 105.28 -2.119 . . . . 0.0 105.28 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -130.88 146.98 52.47 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 124.856 1.262 . . . . 0.0 110.215 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.7 tp -122.65 139.28 54.12 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 124.691 1.196 . . . . 0.0 108.559 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.9 mt -119.04 109.91 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 105.013 -2.217 . . . . 0.0 105.013 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -88.45 107.5 18.9 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -115.73 73.1 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.441 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -90.13 158.63 26.96 Favored Glycine 0 C--N 1.334 0.443 0 O-C-N 120.322 -1.486 . . . . 0.0 112.049 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' H ' ' HB3' ' A' ' 57' ' ' GLU . 26.7 mmmt -61.17 -28.31 69.03 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.697 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.8 p -115.57 -36.33 4.29 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 116.914 -1.517 . . . . 0.0 110.922 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.4 tp -128.39 131.56 48.5 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 121.26 1.846 . . . . 0.0 112.941 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.52 150.4 44.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.122 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.76 -176.15 44.68 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 125.388 1.47 . . . . 0.0 110.194 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -145.79 150.98 37.2 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 124.841 1.256 . . . . 0.0 108.603 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -152.25 166.37 31.99 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.951 0.901 . . . . 0.0 109.008 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.9 p -139.82 148.04 41.6 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.903 0.881 . . . . 0.0 109.869 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.495 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 1.3 t -146.19 143.25 29.15 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -97.18 105.35 17.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 102.423 -3.177 . . . . 0.0 102.423 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -110.39 156.66 20.49 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.944 0.778 . . . . 0.0 109.819 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -68.03 -37.52 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 123.246 0.618 . . . . 0.0 111.515 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.96 168.41 24.65 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.21 1.004 . . . . 0.0 108.843 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.05 -25.2 67.72 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 116.735 -1.602 . . . . 0.0 111.79 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.36 -50.52 45.44 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 121.13 1.786 . . . . 0.0 107.066 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.411 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 74.3 m -57.25 -43.92 83.42 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 121.192 -0.942 . . . . 0.0 108.906 178.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.28 -51.65 68.03 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.346 0.658 . . . . 0.0 110.439 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.88 -44.71 67.06 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 125.858 1.663 . . . . 0.0 110.913 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 57.5 mtmt -67.54 -49.08 65.0 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.524 1.129 . . . . 0.0 110.232 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t -56.72 -49.06 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CZ ' HG22 ' A' ' 19' ' ' THR . 26.0 m-85 -61.23 -42.57 98.84 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.943 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.483 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 5.0 mttt -56.1 -51.36 68.18 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 119.582 1.083 . . . . 0.0 109.695 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -59.26 -42.41 91.12 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-O 118.35 -0.833 . . . . 0.0 108.92 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -67.15 -44.03 80.84 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 124.085 0.866 . . . . 0.0 112.457 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.38 75.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 120.605 -1.309 . . . . 0.0 110.96 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -28.76 70.2 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 123.368 0.418 . . . . 0.0 110.323 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.41 -40.25 96.7 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -82.63 -1.54 51.3 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.47 1.108 . . . . 0.0 110.651 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.21 24.76 58.75 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 125.809 1.671 . . . . 0.0 113.95 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -107.08 118.46 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 125.662 1.585 . . . . 0.0 109.705 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -154.38 93.07 1.56 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.493 ' H ' ' CG2' ' A' ' 55' ' ' VAL . . . -117.74 -140.24 6.49 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 124.567 1.08 . . . . 0.0 111.297 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -89.66 114.34 25.95 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.483 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 53.9 m95 -86.0 134.05 33.88 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.797 0.439 . . . . 0.0 110.347 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.1 p -126.13 176.64 6.9 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.855 1.662 . . . . 0.0 108.636 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -157.69 129.95 7.18 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.565 -1.334 . . . . 0.0 110.076 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -113.62 78.0 1.1 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -52.54 -34.54 50.58 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.148 0.979 . . . . 0.0 111.586 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.67 -33.41 22.49 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 126.425 1.89 . . . . 0.0 112.091 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 t -127.77 12.81 6.84 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.225 1.41 . . . . 0.0 110.812 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp 51.74 39.1 24.7 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 126.469 1.908 . . . . 0.0 113.287 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -116.76 130.08 56.5 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -101.58 152.13 21.16 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 105.056 -2.201 . . . . 0.0 105.056 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.1 m -135.81 116.25 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 120.529 -1.357 . . . . 0.0 108.304 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.493 ' CG2' ' H ' ' A' ' 42' ' ' GLY . 4.8 p -100.92 108.3 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.3 m -107.8 104.71 14.27 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.441 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 1.8 tt0 . . . . . 0 C--O 1.255 1.375 0 N-CA-C 104.895 -2.261 . . . . 0.0 104.895 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.407 ' CG ' ' H ' ' A' ' 2' ' ' GLY . 5.5 ttt . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.407 ' H ' ' CG ' ' A' ' 1' ' ' MET . . . 131.94 174.23 13.57 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 127.032 2.253 . . . . 0.0 112.2 179.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 m -90.2 122.42 33.12 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -106.38 159.19 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 125.803 1.641 . . . . 0.0 108.718 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -130.57 146.18 52.03 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.299 1.44 . . . . 0.0 109.846 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.401 HD21 HD21 ' A' ' 8' ' ' LEU . 41.5 tp -123.44 136.45 54.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt -121.28 104.63 15.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.401 HD21 HD21 ' A' ' 6' ' ' LEU . 96.9 mt -83.38 105.33 14.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -107.5 74.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.444 1.098 . . . . 0.0 108.629 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 57' ' ' GLU . . . -94.93 154.62 21.26 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-O 122.152 0.862 . . . . 0.0 113.448 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -70.3 -20.77 63.0 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.01 -0.595 . . . . 0.0 111.138 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.7 p -112.48 -43.44 3.49 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.486 1.115 . . . . 0.0 111.967 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 tp -134.25 152.46 51.83 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.213 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.38 157.23 46.23 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.32 1.448 . . . . 0.0 107.844 177.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.03 166.61 39.21 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.055 0.836 . . . . 0.0 111.502 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -132.6 146.75 52.14 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 121.069 -1.254 . . . . 0.0 107.678 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 t -153.64 157.86 40.25 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.455 1.102 . . . . 0.0 108.238 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 p -130.82 143.58 50.84 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.065 1.346 . . . . 0.0 107.556 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.24 151.72 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -97.66 126.12 42.81 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.28 146.39 50.76 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.85 -36.96 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.731 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -148.55 164.3 34.64 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 126.017 1.727 . . . . 0.0 107.74 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.39 -33.87 68.28 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.186 1.394 . . . . 0.0 110.953 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.64 -50.39 73.69 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.611 0.641 . . . . 0.0 109.862 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.423 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 84.7 m -60.76 -44.77 96.32 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.953 1.301 . . . . 0.0 109.458 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.53 -51.09 71.33 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -61.63 -36.98 82.31 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.694 1.197 . . . . 0.0 111.207 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 49.3 mtmt -69.25 -50.21 49.21 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 119.196 0.907 . . . . 0.0 109.524 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.25 -49.21 80.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -63.21 -41.68 99.17 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 117.629 -1.177 . . . . 0.0 111.025 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.514 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.8 mttt -57.06 -48.82 77.64 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 120.562 1.528 . . . . 0.0 108.986 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -62.9 -41.23 99.37 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.244 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -62.08 -45.98 91.12 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.849 0.833 . . . . 0.0 110.661 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.9 73.42 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 120.949 -1.094 . . . . 0.0 109.508 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -31.68 70.1 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 119.217 -0.42 . . . . 0.0 110.119 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -64.77 -38.42 90.92 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -82.76 -4.45 57.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.884 1.674 . . . . 0.0 110.117 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.31 43.43 38.53 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 125.171 1.367 . . . . 0.0 110.695 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -124.44 120.62 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 125.08 1.352 . . . . 0.0 108.041 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -159.41 97.73 1.36 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.8 -138.9 3.99 Favored Glycine 0 C--O 1.224 -0.479 0 O-C-N 124.337 1.023 . . . . 0.0 111.773 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -82.92 110.99 18.39 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.679 0.792 . . . . 0.0 109.85 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.514 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 66.2 m95 -87.7 134.59 33.63 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.557 1.543 . . . . 0.0 110.865 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.1 p -127.03 172.29 10.62 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.877 2.071 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -144.61 143.85 30.98 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 119.847 1.203 . . . . 0.0 108.935 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.35 90.23 2.65 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 126.476 1.91 . . . . 0.0 106.295 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.27 -35.68 67.72 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.934 0.893 . . . . 0.0 112.089 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.53 -27.46 6.72 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.29 1.836 . . . . 0.0 112.963 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.9 t -135.5 16.39 3.39 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.682 1.593 . . . . 0.0 109.743 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt 38.68 50.29 1.59 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 127.651 2.38 . . . . 0.0 110.275 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -116.79 157.84 24.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.818 0.847 . . . . 0.0 110.595 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -129.34 143.16 50.74 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 127.572 2.349 . . . . 0.0 106.097 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.3 m -134.07 135.29 43.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.3 p -118.91 111.12 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.93 98.24 10.91 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 1.6 tm-20 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 124.843 1.257 . . . . 0.0 109.797 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.11 173.2 13.21 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 125.768 1.652 . . . . 0.0 110.574 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -85.75 127.6 34.57 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -111.8 158.28 19.57 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.492 1.117 . . . . 0.0 108.148 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -131.56 146.02 52.01 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.278 1.431 . . . . 0.0 109.712 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.484 HD21 HD21 ' A' ' 8' ' ' LEU . 39.8 tp -122.15 137.67 54.74 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.2 mt -122.63 104.78 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 126.469 1.907 . . . . 0.0 106.137 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.484 HD21 HD21 ' A' ' 6' ' ' LEU . 96.4 mt -83.76 105.37 14.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -106.61 75.04 1.04 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.475 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -94.47 161.9 24.28 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-O 123.42 1.567 . . . . 0.0 116.384 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -70.11 -25.57 63.56 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 125.54 1.536 . . . . 0.0 110.718 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -114.69 -39.35 3.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 119.045 -0.502 . . . . 0.0 112.224 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -135.72 158.74 43.65 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.57 150.84 45.53 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.45 175.03 41.28 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.17 152.41 39.2 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.571 0.748 . . . . 0.0 109.047 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -157.54 159.78 37.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.328 1.051 . . . . 0.0 108.743 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.94 142.44 50.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.19 1.396 . . . . 0.0 108.963 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.449 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 4.0 t -145.53 144.01 30.29 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -87.72 117.66 26.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 104.286 -2.487 . . . . 0.0 104.286 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.09 147.41 47.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 118.547 0.612 . . . . 0.0 110.277 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.2 -30.28 48.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.757 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -154.56 162.63 41.05 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 125.338 1.455 . . . . 0.0 108.066 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -29.02 66.26 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 124.011 0.925 . . . . 0.0 110.716 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.32 70.01 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.342 0.591 . . . . 0.0 109.883 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.494 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 9.5 m -60.11 -44.75 94.62 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.81 -50.55 73.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -58.84 -40.8 85.33 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.104 0.562 . . . . 0.0 112.035 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.494 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 7.9 mtmp? -67.42 -48.91 65.91 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.242 0.928 . . . . 0.0 109.785 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.87 -49.09 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.449 ' CZ ' HG22 ' A' ' 19' ' ' THR . 16.9 m-30 -63.62 -41.65 98.27 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 117.556 -1.212 . . . . 0.0 110.663 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -56.34 -48.55 76.53 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 120.647 1.567 . . . . 0.0 108.745 178.057 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -62.78 -41.92 99.47 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.14 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -63.75 -43.76 95.49 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 118.442 0.564 . . . . 0.0 111.442 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.67 72.24 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.036 -1.04 . . . . 0.0 109.383 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -32.45 69.53 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.6 0.562 . . . . 0.0 109.623 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -65.97 -36.51 83.51 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.479 -0.763 . . . . 0.0 109.203 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -83.76 -3.34 57.74 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.565 1.146 . . . . 0.0 109.888 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.77 42.3 46.74 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 125.002 1.287 . . . . 0.0 111.087 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -117.41 123.07 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -152.69 97.13 2.2 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.43 -152.78 5.8 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 124.861 1.22 . . . . 0.0 112.141 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.15 112.13 13.49 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.915 0.886 . . . . 0.0 109.953 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.501 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 61.4 m95 -85.4 133.54 34.12 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.522 1.129 . . . . 0.0 110.031 179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.6 p -124.73 176.71 6.4 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.754 2.022 . . . . 0.0 110.908 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -148.08 146.72 28.95 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 120.428 -1.42 . . . . 0.0 109.42 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -138.07 86.23 2.16 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.586 1.954 . . . . 0.0 107.782 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.05 -27.71 67.17 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.542 -1.349 . . . . 0.0 111.574 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.91 -29.36 11.84 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.92 1.688 . . . . 0.0 113.224 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -135.76 11.64 3.41 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.896 2.079 . . . . 0.0 108.843 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 45.05 51.33 8.93 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 127.283 2.233 . . . . 0.0 109.007 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.8 m -115.37 158.03 23.03 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.341 1.056 . . . . 0.0 110.074 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -131.04 145.31 51.99 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 128.411 2.684 . . . . 0.0 106.463 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 m -134.88 137.59 43.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 p -119.84 110.67 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.46 98.02 10.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 122.662 0.385 . . . . 0.0 110.55 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.475 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 5.1 tt0 . . . . . 0 C--O 1.254 1.335 0 N-CA-C 104.631 -2.359 . . . . 0.0 104.631 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.08 171.85 12.83 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 126.25 1.881 . . . . 0.0 110.606 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -79.98 125.01 29.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -107.05 159.93 15.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.274 1.83 . . . . 0.0 107.216 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -131.27 145.63 51.97 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.992 1.317 . . . . 0.0 109.997 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.485 HD21 HD21 ' A' ' 8' ' ' LEU . 38.8 tp -124.88 134.48 52.68 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 177.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -119.06 107.54 21.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.485 HD21 HD21 ' A' ' 6' ' ' LEU . 92.4 mt -85.43 104.44 15.23 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -103.15 73.94 1.26 Allowed 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.9 152.62 20.83 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 124.106 1.948 . . . . 0.0 115.262 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -78.68 -14.31 59.36 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 126.102 1.761 . . . . 0.0 109.001 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.6 p -104.04 -60.92 1.51 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.293 2.237 . . . . 0.0 109.909 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.405 HD12 ' H ' ' A' ' 14' ' ' LYS . 44.6 tp -136.55 159.25 42.37 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.519 1.928 . . . . 0.0 107.696 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.405 ' H ' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -133.15 156.87 46.67 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.621 1.168 . . . . 0.0 108.319 177.833 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.42 175.89 42.95 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.816 -0.513 . . . . 0.0 111.816 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -146.19 149.51 34.09 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.232 1.013 . . . . 0.0 108.72 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -153.11 158.63 42.15 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.578 1.551 . . . . 0.0 107.989 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p -132.45 138.0 47.45 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.27 152.9 39.92 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -99.48 127.12 45.52 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.8 148.63 52.57 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.55 0.74 . . . . 0.0 110.129 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.3 p -68.26 -38.56 79.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 123.428 0.691 . . . . 0.0 111.933 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -148.61 169.44 20.33 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.363 1.865 . . . . 0.0 108.989 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -19.04 65.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.574 0.75 . . . . 0.0 112.009 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.94 -50.38 16.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.8 m -60.67 -41.51 95.2 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.54 -50.88 72.15 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.86 -37.32 86.96 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.46 0.475 . . . . 0.0 111.75 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -66.71 -50.09 63.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.024 0.829 . . . . 0.0 109.164 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.1 t -58.04 -50.55 77.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -63.13 -39.31 94.31 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 117.307 -1.33 . . . . 0.0 111.441 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 4.8 mttt -56.71 -47.86 79.0 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 120.325 1.42 . . . . 0.0 109.322 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -62.02 -42.79 99.55 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -61.47 -44.87 96.32 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 121.665 0.745 . . . . 0.0 110.667 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.86 -48.4 71.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 120.383 -1.448 . . . . 0.0 111.012 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -29.03 65.89 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.747 0.819 . . . . 0.0 109.903 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.6 -43.36 80.67 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -79.29 -5.84 55.35 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.369 1.067 . . . . 0.0 110.892 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.09 29.35 46.46 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 125.182 1.372 . . . . 0.0 112.45 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.2 t -107.2 122.49 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -151.57 99.99 2.66 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.14 -155.15 6.35 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 125.265 1.412 . . . . 0.0 111.963 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -76.98 113.08 14.29 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.38 1.072 . . . . 0.0 109.236 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.47 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 68.9 m95 -86.94 133.64 33.58 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.217 1.407 . . . . 0.0 111.516 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.9 p -125.55 175.5 7.5 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.774 2.43 . . . . 0.0 111.362 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -148.0 145.49 28.55 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 120.209 -1.557 . . . . 0.0 109.211 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.77 87.11 2.29 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 127.328 2.251 . . . . 0.0 105.172 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -57.0 -32.57 66.25 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.987 0.915 . . . . 0.0 113.086 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.05 -26.94 17.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.402 1.881 . . . . 0.0 112.021 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.7 t -135.48 15.94 3.41 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.774 1.23 . . . . 0.0 109.59 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttm 42.85 47.45 4.8 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 126.097 1.759 . . . . 0.0 111.017 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.9 m -114.9 154.13 29.24 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.364 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -129.27 142.92 50.71 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 127.492 2.317 . . . . 0.0 104.914 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.2 m -134.84 137.26 43.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -119.37 112.32 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 123.716 0.807 . . . . 0.0 108.833 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.2 96.71 10.18 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.622 1.169 . . . . 0.0 109.422 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.244 0.807 0 C-N-CA 125.188 1.395 . . . . 0.0 111.045 179.502 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.471 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 12.2 ttt . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 121.347 0.594 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.18 -179.12 16.91 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 124.576 1.084 . . . . 0.0 111.06 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m -80.65 113.97 19.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -97.89 159.21 15.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -131.88 147.03 52.45 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 124.74 1.216 . . . . 0.0 109.996 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -122.18 143.75 49.38 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.177 1.391 . . . . 0.0 107.374 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.8 mt -124.57 113.02 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.9 mt -92.42 106.92 18.82 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -113.29 73.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.1 156.87 20.95 Favored Glycine 0 C--N 1.333 0.406 0 O-C-N 120.64 -1.288 . . . . 0.0 112.759 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -68.76 -11.6 60.5 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 121.805 -0.821 . . . . 0.0 111.056 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.9 p -132.57 -39.59 1.0 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.188 1.395 . . . . 0.0 111.615 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -124.83 131.92 53.39 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 120.064 1.302 . . . . 0.0 110.064 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -133.39 160.88 36.06 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.374 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.15 -171.1 42.9 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -147.86 149.99 33.3 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.617 1.567 . . . . 0.0 107.301 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 t -152.18 166.41 31.8 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -139.78 149.19 43.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 121.645 -0.659 . . . . 0.0 110.172 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.528 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 1.6 t -145.99 149.45 34.18 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -101.24 105.66 16.79 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -108.37 156.4 19.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.326 1.05 . . . . 0.0 110.169 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -74.27 -39.08 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 123.15 0.58 . . . . 0.0 110.568 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -140.46 164.12 31.0 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 124.318 1.047 . . . . 0.0 108.604 -178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -25.23 68.01 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.131 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.63 -50.13 59.55 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.311 0.96 . . . . 0.0 108.88 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -58.72 -41.2 85.82 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 121.585 -0.697 . . . . 0.0 109.333 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.67 -51.46 67.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.589 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.03 -45.45 75.18 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.246 1.018 . . . . 0.0 111.174 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -65.84 -47.91 73.38 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.377 0.671 . . . . 0.0 110.484 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.5 -47.61 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.528 ' CZ ' HG22 ' A' ' 19' ' ' THR . 25.1 m-85 -62.05 -40.25 95.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.209 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 38.2 mttt -56.91 -48.25 78.66 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.182 0.901 . . . . 0.0 109.281 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -59.95 -41.04 91.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -66.39 -44.84 81.95 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 123.732 0.645 . . . . 0.0 112.026 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.67 72.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 120.583 -1.323 . . . . 0.0 110.794 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -29.43 69.24 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.499 0.72 . . . . 0.0 110.29 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.81 -43.63 92.51 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -79.8 -3.1 46.27 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.374 1.07 . . . . 0.0 110.318 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.13 20.89 63.92 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 125.284 1.421 . . . . 0.0 114.224 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.07 116.25 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.885 1.674 . . . . 0.0 106.795 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -149.47 92.43 1.93 Allowed 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.88 -149.66 6.77 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 124.68 1.133 . . . . 0.0 111.294 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -83.32 113.88 21.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.306 1.442 . . . . 0.0 107.799 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.476 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 55.4 m95 -85.91 137.92 32.39 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 123.532 0.733 . . . . 0.0 109.83 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 p -129.29 177.98 6.77 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.398 1.879 . . . . 0.0 109.001 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -155.44 142.55 19.23 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 120.482 -1.386 . . . . 0.0 109.461 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -129.74 80.93 1.99 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -54.81 -34.19 62.47 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.234 1.014 . . . . 0.0 110.86 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.01 8.25 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 127.601 2.36 . . . . 0.0 112.211 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.7 t -135.23 18.37 3.41 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.423 1.489 . . . . 0.0 110.573 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttt 44.3 49.15 7.97 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 125.233 1.413 . . . . 0.0 111.555 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.2 m -131.13 138.58 49.55 Favored 'General case' 0 C--O 1.227 -0.105 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -110.32 152.42 26.21 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.0 m -135.27 118.51 16.62 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.0 p -103.07 110.9 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.0 m -106.57 107.72 18.88 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 123.848 0.717 . . . . 0.0 110.265 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.091 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' CG ' ' H ' ' A' ' 2' ' ' GLY . 1.7 ttt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.406 ' H ' ' CG ' ' A' ' 1' ' ' MET . . . 131.34 173.78 13.46 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 125.777 1.656 . . . . 0.0 109.397 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.0 m -88.67 136.22 33.11 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -114.0 153.18 29.8 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 tmmt? -130.28 145.75 51.8 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 124.643 1.177 . . . . 0.0 109.299 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.6 tp -120.31 143.94 48.09 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.4 mt -125.7 103.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.9 mt -82.42 107.13 14.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -109.96 73.47 0.84 Allowed 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.809 1.244 . . . . 0.0 109.125 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.453 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -95.35 150.26 19.61 Favored Glycine 0 N--CA 1.443 -0.893 0 O-C-N 121.295 -0.878 . . . . 0.0 111.714 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -7.78 53.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.545 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.5 p -122.17 -39.92 2.54 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.841 1.257 . . . . 0.0 111.445 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.55 153.58 51.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.662 1.585 . . . . 0.0 107.336 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -140.34 160.64 39.53 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.269 1.427 . . . . 0.0 107.215 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.93 177.2 48.4 Favored Glycine 0 CA--C 1.52 0.406 0 O-C-N 121.194 -0.941 . . . . 0.0 112.613 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -143.98 147.99 34.67 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -155.63 161.12 40.86 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 p -135.28 144.34 46.73 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.842 1.257 . . . . 0.0 109.203 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.414 HG22 ' CE1' ' A' ' 31' ' ' PHE . 9.7 t -146.93 152.54 38.83 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.197 1.399 . . . . 0.0 107.371 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -100.31 124.15 45.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.06 148.07 48.68 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 122.268 1.033 . . . . 0.0 111.705 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -67.39 -39.58 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.828 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -145.36 169.39 18.37 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.736 1.614 . . . . 0.0 108.205 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -30.96 70.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.291 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.08 -48.79 69.79 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 119.224 0.92 . . . . 0.0 109.952 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.6 m -59.5 -43.05 93.43 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 120.155 1.343 . . . . 0.0 107.821 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.67 -51.13 70.79 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 111.606 0.224 . . . . 0.0 111.606 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.03 -42.75 99.05 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.264 1.426 . . . . 0.0 111.083 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -65.62 -50.16 66.07 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.823 0.738 . . . . 0.0 109.975 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -57.81 -47.59 85.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CE1' HG22 ' A' ' 19' ' ' THR . 9.9 m-30 -66.4 -39.75 89.2 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 116.988 -1.482 . . . . 0.0 110.947 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 10.6 mttp -57.03 -47.4 81.0 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 120.712 1.597 . . . . 0.0 109.693 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -61.82 -42.54 99.15 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -66.6 -41.18 88.84 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.176 0.512 . . . . 0.0 111.074 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.05 -45.93 83.32 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.036 -1.665 . . . . 0.0 109.446 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -31.93 69.59 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.52 -42.99 98.45 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 123.627 0.771 . . . . 0.0 109.139 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -79.84 -4.53 52.57 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.505 1.122 . . . . 0.0 109.97 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.81 43.96 40.16 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 125.661 1.6 . . . . 0.0 110.916 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -124.28 120.34 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 C-N-CA 125.634 1.573 . . . . 0.0 108.282 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -159.18 98.33 1.43 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -134.4 -137.35 3.78 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.195 0.902 . . . . 0.0 111.765 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -83.54 111.33 18.98 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.785 0.834 . . . . 0.0 109.041 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.521 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 57.9 m95 -87.48 136.81 32.79 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.014 0.926 . . . . 0.0 110.023 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.1 p -126.08 171.48 10.8 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.058 2.143 . . . . 0.0 110.07 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -144.11 142.91 30.87 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 119.6 1.091 . . . . 0.0 109.291 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -133.69 84.51 2.13 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 126.67 1.988 . . . . 0.0 106.674 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.95 -28.6 64.47 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.69 0.796 . . . . 0.0 111.951 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.22 -28.37 18.26 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.621 1.568 . . . . 0.0 112.52 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 t -134.44 6.36 3.53 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.211 1.404 . . . . 0.0 110.178 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp 52.42 51.71 15.63 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 127.288 2.235 . . . . 0.0 109.473 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.8 m -120.85 156.26 32.35 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.439 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -127.68 147.02 50.38 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.065 2.146 . . . . 0.0 106.706 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.5 m -135.33 134.53 39.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 p -117.08 109.97 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.14 96.0 9.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 3.1 tt0 . . . . . 0 C--O 1.25 1.086 0 C-N-CA 124.767 1.227 . . . . 0.0 110.634 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 5.3 ttt . . . . . 0 N--CA 1.468 0.463 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.79 -177.87 18.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 125.262 1.411 . . . . 0.0 110.026 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -83.28 117.29 22.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.555 ' CE2' ' HE3' ' A' ' 51' ' ' LYS . 60.2 m-85 -98.91 160.79 14.02 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -133.59 147.03 51.48 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 124.881 1.272 . . . . 0.0 111.09 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HB3' HG22 ' A' ' 17' ' ' THR . 65.6 tp -123.02 138.48 54.68 Favored 'General case' 0 CA--C 1.511 -0.551 0 C-N-CA 124.613 1.165 . . . . 0.0 108.454 178.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.2 mt -119.41 106.22 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.9 mt -86.56 105.01 16.54 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -108.19 73.16 0.87 Allowed 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.426 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -85.59 155.87 29.8 Favored Glycine 0 N--CA 1.442 -0.904 0 O-C-N 120.212 -1.555 . . . . 0.0 110.508 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -68.99 -24.14 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.158 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.4 p -111.67 -49.98 2.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.552 1.141 . . . . 0.0 110.244 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 tp -125.48 132.71 52.62 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 119.3 0.955 . . . . 0.0 111.103 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 154.2 34.2 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.14 -177.43 44.21 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -147.48 152.17 37.6 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.62 1.168 . . . . 0.0 108.648 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.421 HG22 ' HB3' ' A' ' 6' ' ' LEU . 7.6 t -152.86 165.83 34.21 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.404 1.082 . . . . 0.0 108.311 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 p -140.1 147.79 40.76 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.336 1.054 . . . . 0.0 108.217 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.432 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -146.65 147.31 30.9 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 177.553 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -95.92 105.85 17.92 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 105.205 -2.146 . . . . 0.0 105.205 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -108.92 152.11 25.37 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.758 0.823 . . . . 0.0 109.242 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.0 p -73.89 -39.64 52.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 123.783 0.833 . . . . 0.0 110.492 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -145.49 170.2 16.86 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.79 1.236 . . . . 0.0 109.772 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.42 -30.14 71.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 117.421 -1.276 . . . . 0.0 112.191 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.44 -50.0 61.2 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.953 1.251 . . . . 0.0 107.904 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -56.66 -43.25 80.17 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 121.94 -0.475 . . . . 0.0 109.818 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.93 -51.29 67.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.487 0.715 . . . . 0.0 110.752 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -53.24 -47.19 69.22 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.177 1.391 . . . . 0.0 110.642 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -66.51 -47.75 71.98 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 123.663 0.785 . . . . 0.0 111.372 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.65 -48.21 89.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.432 ' CZ ' HG22 ' A' ' 19' ' ' THR . 26.2 m-85 -61.67 -41.21 97.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.939 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.485 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 10.2 mttt -57.17 -49.7 75.13 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 119.628 1.104 . . . . 0.0 109.971 178.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -60.55 -41.44 94.54 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.115 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -67.96 -46.06 72.47 Favored 'General case' 0 C--O 1.222 -0.362 0 O-C-N 123.851 0.719 . . . . 0.0 111.275 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.0 -47.2 84.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.81 -1.181 . . . . 0.0 110.8 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -30.34 71.48 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 123.435 0.459 . . . . 0.0 110.735 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.78 -36.64 84.96 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.04 0.936 . . . . 0.0 109.283 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -83.83 -5.0 59.11 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.857 1.263 . . . . 0.0 110.3 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.32 26.0 34.81 Favored Glycine 0 C--N 1.338 0.681 0 C-N-CA 124.974 1.273 . . . . 0.0 113.028 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.9 t -113.06 116.73 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 125.137 1.375 . . . . 0.0 109.667 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -155.08 95.9 1.78 Allowed 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.99 -137.69 3.78 Favored Glycine 0 CA--C 1.511 -0.212 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.562 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -84.41 113.91 21.52 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 55.6 m95 -89.65 141.62 28.43 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.599 0.76 . . . . 0.0 109.676 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 p -128.19 -176.98 3.97 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.719 1.608 . . . . 0.0 108.487 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -159.71 141.19 12.85 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.668 -1.27 . . . . 0.0 109.681 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -132.11 80.2 1.9 Allowed 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 127.882 2.473 . . . . 0.0 105.581 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.49 -29.35 66.18 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.834 -0.542 . . . . 0.0 111.487 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.97 -28.91 10.9 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.828 2.051 . . . . 0.0 111.147 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 t -136.4 20.26 3.15 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.6 1.96 . . . . 0.0 110.019 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.555 ' HE3' ' CE2' ' A' ' 4' ' ' TYR . 22.1 mtpp 37.77 55.6 1.55 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 128.609 2.763 . . . . 0.0 111.436 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -127.04 140.33 52.37 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -112.63 151.26 30.33 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 104.353 -2.462 . . . . 0.0 104.353 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.2 m -135.11 115.21 13.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 p -102.95 112.08 35.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 C-N-CA 124.084 0.954 . . . . 0.0 108.586 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 m -103.23 100.6 10.51 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 7.6 tm-20 . . . . . 0 C--O 1.247 0.938 0 C-N-CA 127.411 2.284 . . . . 0.0 112.593 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.423 ' CG ' ' H ' ' A' ' 2' ' ' GLY . 6.4 ttt . . . . . 0 N--CA 1.469 0.489 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.423 ' H ' ' CG ' ' A' ' 1' ' ' MET . . . 132.99 -175.77 19.9 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 125.315 1.436 . . . . 0.0 109.822 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 m -91.31 140.81 29.42 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 114.054 -1.073 . . . . 0.0 109.66 -178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -121.5 152.77 38.78 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.169 1.788 . . . . 0.0 107.352 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -130.56 145.64 51.92 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 125.684 1.594 . . . . 0.0 109.346 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.0 tp -122.79 138.32 54.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -123.05 102.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.16 104.33 12.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -105.95 74.05 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.673 1.589 . . . . 0.0 110.043 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -93.72 156.37 22.48 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-O 123.755 1.753 . . . . 0.0 114.628 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -77.25 -13.67 59.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 113.733 -1.234 . . . . 0.0 109.854 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.1 t -127.93 -37.27 1.93 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -135.73 145.72 46.94 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -139.86 161.13 38.31 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.611 1.096 . . . . 0.0 109.967 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.94 179.24 48.91 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 119.093 0.861 . . . . 0.0 111.575 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -148.03 149.31 31.88 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.444 0.698 . . . . 0.0 110.054 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 t -153.31 159.09 42.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.492 1.117 . . . . 0.0 108.494 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.47 139.5 51.58 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 126.229 1.812 . . . . 0.0 106.626 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.34 152.02 38.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -101.84 126.75 48.79 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.15 151.58 50.52 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.207 1.003 . . . . 0.0 110.457 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 m -68.12 -40.93 83.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.372 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -144.48 170.66 15.62 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 126.157 1.783 . . . . 0.0 109.42 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.35 75.26 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.855 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.55 -47.89 74.29 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 119.295 0.952 . . . . 0.0 110.051 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.0 m -58.24 -45.58 87.51 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.72 -50.65 73.12 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.076 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.51 -39.35 90.66 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.706 1.202 . . . . 0.0 111.383 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -66.64 -50.37 63.19 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.404 1.002 . . . . 0.0 109.346 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.19 -51.18 72.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -64.23 -40.33 95.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.542 -1.218 . . . . 0.0 111.674 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.482 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 9.2 mttt -57.01 -48.12 79.24 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 120.318 1.417 . . . . 0.0 109.027 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -62.15 -41.64 98.48 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -61.19 -47.03 88.02 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.797 0.808 . . . . 0.0 111.06 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.64 72.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.059 -1.026 . . . . 0.0 110.934 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -31.86 69.27 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.88 -35.07 79.62 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 118.475 0.579 . . . . 0.0 109.72 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -85.45 -2.38 58.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.258 1.423 . . . . 0.0 109.526 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.71 36.54 53.24 Favored Glycine 0 C--N 1.338 0.64 0 C-N-CA 125.165 1.364 . . . . 0.0 111.349 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -115.35 122.21 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -152.31 103.27 2.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -140.92 -156.73 6.93 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 124.776 1.179 . . . . 0.0 112.391 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -74.97 113.45 12.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.482 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 62.9 m95 -87.66 132.35 34.13 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.979 0.912 . . . . 0.0 110.083 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 p -123.64 169.76 11.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.624 1.97 . . . . 0.0 109.334 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -147.72 147.35 29.83 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 119.75 1.159 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -139.12 91.73 2.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 126.275 1.83 . . . . 0.0 106.668 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.69 -32.13 70.22 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.336 -0.852 . . . . 0.0 111.754 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.9 -24.59 9.53 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.141 1.776 . . . . 0.0 113.376 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.7 t -134.77 2.76 3.19 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.695 1.598 . . . . 0.0 110.45 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.2 mttm 49.19 58.34 5.49 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 128.413 2.685 . . . . 0.0 109.65 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.8 m -127.8 150.2 49.93 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.611 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -122.34 141.39 51.6 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 127.372 2.269 . . . . 0.0 106.014 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.2 m -131.46 130.32 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.91 109.52 28.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 98.69 11.52 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 3.5 tt0 . . . . . 0 C--O 1.249 1.056 0 C-N-CA 126.59 1.956 . . . . 0.0 112.589 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 ttt . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.93 -179.05 17.68 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 128.388 2.899 . . . . 0.0 110.941 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.3 m -83.24 137.08 34.16 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -116.48 157.8 24.6 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 125.836 1.654 . . . . 0.0 107.01 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -132.98 145.5 50.93 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.647 1.179 . . . . 0.0 109.779 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.8 tp -122.06 142.29 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 mt -127.29 102.13 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.5 mt -81.19 105.1 12.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -108.43 74.56 0.93 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.278 1.031 . . . . 0.0 108.629 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.411 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -95.77 152.91 20.48 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-O 123.074 1.374 . . . . 0.0 113.975 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -63.83 -22.33 66.86 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.967 1.307 . . . . 0.0 110.988 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.0 t -117.93 -36.68 3.57 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.662 1.185 . . . . 0.0 113.034 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.9 tp -135.96 153.04 51.53 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 118.044 -0.979 . . . . 0.0 108.748 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.17 153.62 45.44 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.99 -179.65 44.76 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 123.676 0.655 . . . . 0.0 111.476 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -146.03 157.75 43.87 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.429 1.092 . . . . 0.0 109.782 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.5 t -159.93 163.69 34.02 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.936 1.694 . . . . 0.0 108.373 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 p -138.62 141.86 39.12 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.263 1.425 . . . . 0.0 107.998 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 t -146.9 152.36 38.57 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.629 1.172 . . . . 0.0 108.27 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -98.94 116.87 32.16 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.18 151.58 38.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.202 1.001 . . . . 0.0 109.942 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.9 p -67.24 -39.56 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 123.707 0.803 . . . . 0.0 112.021 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -148.39 164.34 34.41 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.849 1.26 . . . . 0.0 108.366 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -33.15 72.06 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.958 0.903 . . . . 0.0 111.322 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.13 95.16 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 m -66.33 -44.57 82.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 123.788 0.835 . . . . 0.0 109.032 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.61 -47.58 73.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.441 0.696 . . . . 0.0 110.083 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -59.53 -42.73 92.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.86 0.864 . . . . 0.0 111.555 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -63.67 -50.3 69.79 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.136 0.88 . . . . 0.0 110.032 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.0 t -55.91 -51.07 64.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -63.52 -38.38 90.92 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 117.34 -1.314 . . . . 0.0 111.722 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.469 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 2.5 mttt -56.87 -48.02 79.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 120.684 1.583 . . . . 0.0 108.693 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -61.48 -42.77 99.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -62.48 -40.87 98.05 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.453 0.644 . . . . 0.0 111.172 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.15 74.21 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 120.703 -1.248 . . . . 0.0 109.238 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -30.0 68.78 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.504 0.722 . . . . 0.0 109.551 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.51 -38.26 89.17 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.847 0.859 . . . . 0.0 109.213 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -86.82 -2.65 58.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.831 1.652 . . . . 0.0 110.48 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.79 39.38 65.77 Favored Glycine 0 C--N 1.341 0.84 0 C-N-CA 125.631 1.586 . . . . 0.0 111.507 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.4 t -115.98 121.41 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 124.952 1.301 . . . . 0.0 109.108 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -150.5 100.8 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -139.66 -148.27 5.19 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 125.818 1.675 . . . . 0.0 112.463 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -79.52 114.54 18.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.469 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 58.3 m95 -89.85 132.55 35.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.9 p -121.69 172.38 8.18 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.528 1.931 . . . . 0.0 110.01 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -146.42 138.82 25.14 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.894 -1.129 . . . . 0.0 109.072 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.63 83.22 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 127.529 2.332 . . . . 0.0 106.072 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -56.1 -27.94 55.81 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.416 1.086 . . . . 0.0 112.58 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.09 -29.12 60.14 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.671 1.589 . . . . 0.0 111.804 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.2 t -135.55 16.59 3.37 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.357 1.463 . . . . 0.0 109.48 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt 41.1 46.5 2.58 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 128.041 2.536 . . . . 0.0 110.831 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.6 m -109.07 155.32 21.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.025 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -126.42 140.57 52.38 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.777 2.431 . . . . 0.0 106.087 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.0 m -131.17 132.75 44.95 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -115.9 109.2 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.19 97.06 10.4 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.474 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 1.5 tt0 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.249 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 11.3 ttt . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.52 -175.3 20.01 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 125.792 1.663 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m -75.16 137.39 41.29 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 124.291 1.037 . . . . 0.0 110.785 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 21' ' ' ALA . 76.6 m-85 -124.69 157.32 35.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.843 2.057 . . . . 0.0 107.28 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -135.62 146.18 47.63 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.183 1.393 . . . . 0.0 110.193 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.07 139.84 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.4 mt -124.79 103.66 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -83.52 105.1 14.18 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -105.08 73.88 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.7 152.5 21.12 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -64.28 -14.77 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.372 1.469 . . . . 0.0 113.296 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.8 p -142.65 -19.36 0.68 Allowed 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.394 1.477 . . . . 0.0 112.972 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -135.55 132.99 37.91 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 123.664 0.786 . . . . 0.0 109.611 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -139.29 160.3 40.14 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.182 0.515 . . . . 0.0 109.755 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.11 166.55 34.71 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.683 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -133.29 126.46 31.51 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 121.793 -0.828 . . . . 0.0 109.107 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -128.79 164.64 22.59 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.179 1.391 . . . . 0.0 109.044 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 p -145.98 138.64 25.61 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 123.721 0.809 . . . . 0.0 110.099 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.0 t -146.81 151.03 36.46 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.5 128.26 36.48 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' CD2' ' A' ' 4' ' ' TYR . . . -124.21 153.01 42.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.3 m -68.09 -37.66 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 123.532 0.733 . . . . 0.0 110.495 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -150.24 163.82 37.29 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.73 -27.57 69.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.288 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.92 68.56 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 m -62.51 -43.16 99.48 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.085 1.354 . . . . 0.0 109.356 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.59 -49.42 74.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.285 0.564 . . . . 0.0 109.767 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.46 -41.39 94.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 123.485 0.714 . . . . 0.0 111.44 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -64.43 -48.72 74.26 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.52 -0.737 . . . . 0.0 110.883 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.25 -54.77 30.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -58.69 -38.93 79.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.76 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 7.0 mttp -58.7 -49.87 76.0 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.867 1.212 . . . . 0.0 108.753 178.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -57.84 -41.65 82.76 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -67.43 -45.47 76.0 Favored 'General case' 0 C--O 1.226 -0.134 0 O-C-N 123.415 0.447 . . . . 0.0 111.415 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.26 85.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.028 -1.045 . . . . 0.0 109.485 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -31.11 70.94 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.121 0.568 . . . . 0.0 109.653 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.65 -33.0 74.91 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -91.34 -5.86 53.93 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.386 1.474 . . . . 0.0 110.623 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.76 27.96 48.61 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.851 1.691 . . . . 0.0 112.975 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.5 t -101.74 121.16 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 124.619 1.167 . . . . 0.0 108.407 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -149.91 101.41 3.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -137.59 -154.8 6.7 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 125.105 1.336 . . . . 0.0 111.946 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -85.69 115.79 23.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.442 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 62.5 m95 -88.83 136.12 33.17 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.771 0.828 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 p -122.57 167.59 13.2 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.803 1.641 . . . . 0.0 107.551 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -149.67 130.17 13.92 Favored 'General case' 0 CA--C 1.518 -0.255 0 O-C-N 121.095 -1.003 . . . . 0.0 109.509 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -117.61 91.85 3.68 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.499 1.92 . . . . 0.0 106.3 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -57.77 -36.06 71.63 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.006 0.922 . . . . 0.0 111.205 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.84 -35.11 30.74 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.974 1.31 . . . . 0.0 112.374 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 t -121.38 2.96 10.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.979 1.312 . . . . 0.0 111.766 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HE3' ' CE1' ' A' ' 4' ' ' TYR . 17.0 mtpp 47.19 59.99 3.72 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.395 1.878 . . . . 0.0 108.009 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.6 m -134.55 139.62 45.53 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.152 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -112.68 148.5 34.55 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.1 m -133.13 126.17 31.13 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 p -111.15 116.34 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 105.825 -1.916 . . . . 0.0 105.825 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.34 100.96 10.53 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 2.0 tt0 . . . . . 0 C--O 1.251 1.144 0 C-N-CA 125.084 1.354 . . . . 0.0 110.13 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 ttt . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.45 -176.92 18.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 125.426 1.489 . . . . 0.0 111.281 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.2 m -83.1 128.42 34.47 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -113.91 144.33 43.23 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.881 1.672 . . . . 0.0 108.026 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -116.87 145.98 43.22 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 124.641 1.176 . . . . 0.0 109.296 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.3 tp -125.78 129.76 50.09 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt -114.75 109.95 30.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.465 1.506 . . . . 0.0 107.064 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.89 105.27 16.95 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -104.22 74.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.401 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -97.28 143.97 17.05 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-O 122.275 0.93 . . . . 0.0 112.058 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -69.94 -18.08 63.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.166 0.586 . . . . 0.0 110.026 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 p -102.49 -55.35 2.47 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 127.226 2.21 . . . . 0.0 109.712 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.0 tp -136.47 144.22 44.25 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 122.61 0.364 . . . . 0.0 111.904 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -129.27 151.86 49.47 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.627 0.771 . . . . 0.0 109.192 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.67 173.3 45.76 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -137.52 156.79 47.72 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.316 1.047 . . . . 0.0 109.908 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 t -153.65 162.21 41.46 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.577 1.951 . . . . 0.0 107.309 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 p -136.77 136.85 39.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.42 HG22 ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -147.05 151.04 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 119.493 1.042 . . . . 0.0 108.81 179.176 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -97.47 125.61 42.24 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.726 -1.954 . . . . 0.0 105.726 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.5 153.13 45.55 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 p -68.22 -35.57 71.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-O 119.179 -0.438 . . . . 0.0 111.351 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -153.24 174.68 13.96 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 125.289 1.436 . . . . 0.0 109.082 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -22.94 67.18 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.664 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.07 -50.51 19.3 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 119.84 1.2 . . . . 0.0 109.387 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.464 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 88.4 m -57.76 -41.97 83.06 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.07 70.78 Favored 'General case' 0 N--CA 1.439 -1.0 0 O-C-N 123.389 0.431 . . . . 0.0 111.802 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.99 -39.95 91.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 50.9 mtmt -66.58 -50.0 64.5 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.301 0.641 . . . . 0.0 110.285 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.0 t -57.66 -56.8 13.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.42 ' CE1' HG22 ' A' ' 19' ' ' THR . 20.8 m-30 -56.53 -40.19 74.67 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-O 118.05 -0.976 . . . . 0.0 112.84 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 2.9 mttp -55.59 -48.33 75.03 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 118.722 0.692 . . . . 0.0 109.681 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -62.26 -41.43 98.44 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -62.34 -40.4 96.23 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-O 121.769 0.795 . . . . 0.0 111.074 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.03 -45.43 70.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 120.384 -1.448 . . . . 0.0 109.502 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -32.82 68.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.345 0.658 . . . . 0.0 109.361 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.86 -40.98 99.16 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.353 1.061 . . . . 0.0 109.346 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -83.87 -2.49 56.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.497 1.119 . . . . 0.0 110.894 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.12 41.89 59.5 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 125.175 1.369 . . . . 0.0 111.159 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.2 t -116.42 122.54 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -154.5 95.96 1.85 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.98 -138.2 3.33 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.528 1.061 . . . . 0.0 113.235 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -84.94 110.73 19.09 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.163 0.985 . . . . 0.0 111.566 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.47 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.6 m95 -85.6 136.69 33.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.806 1.242 . . . . 0.0 109.44 178.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.4 p -129.49 172.11 11.88 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.842 2.057 . . . . 0.0 110.51 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -149.23 145.52 27.15 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.738 1.154 . . . . 0.0 109.029 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -137.08 94.48 2.96 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 126.688 1.995 . . . . 0.0 106.081 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -63.21 -26.42 68.79 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.143 0.977 . . . . 0.0 112.673 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.29 -22.44 64.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.382 1.473 . . . . 0.0 113.063 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 t -135.24 10.75 3.53 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.642 1.977 . . . . 0.0 109.45 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt 38.77 52.77 1.92 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 128.29 2.636 . . . . 0.0 110.163 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.2 m -120.37 148.1 44.19 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.347 0.659 . . . . 0.0 110.987 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -119.28 140.35 50.42 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 127.642 2.377 . . . . 0.0 105.773 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.5 m -133.54 135.71 44.54 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -116.24 111.88 37.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.03 103.23 15.14 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 8.4 tt0 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 123.741 0.816 . . . . 0.0 110.271 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 10.8 ttt . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 120.462 0.172 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.73 -177.12 19.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 124.582 1.087 . . . . 0.0 112.156 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -77.82 139.36 39.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.766 0.827 . . . . 0.0 112.029 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.453 ' CD2' ' HB3' ' A' ' 21' ' ' ALA . 64.2 m-85 -126.86 160.09 31.99 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 127.609 2.364 . . . . 0.0 109.452 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -133.48 146.1 50.8 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.778 1.631 . . . . 0.0 109.691 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 tp -126.84 136.22 52.05 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.1 mt -121.12 107.14 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 105.284 -2.117 . . . . 0.0 105.284 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.7 mt -84.69 105.86 15.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -109.08 74.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.423 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -96.26 150.64 19.68 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-O 122.298 0.943 . . . . 0.0 112.458 -179.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -65.27 -20.43 66.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.653 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.0 p -125.72 -25.34 3.68 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 120.079 1.309 . . . . 0.0 112.032 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 tt -135.18 133.23 38.88 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 119.876 1.216 . . . . 0.0 108.872 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -132.83 154.28 50.47 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.09 178.68 48.2 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -143.77 133.51 23.78 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.391 1.076 . . . . 0.0 110.09 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.7 t -137.73 162.49 33.75 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.061 0.945 . . . . 0.0 109.131 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 p -141.75 137.52 31.69 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 125.91 1.684 . . . . 0.0 108.186 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 t -147.01 152.66 38.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.663 0.785 . . . . 0.0 109.613 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -93.13 122.7 35.78 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' HB3' ' CD2' ' A' ' 4' ' ' TYR . . . -117.16 149.56 40.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.716 0.807 . . . . 0.0 110.278 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m -67.91 -34.58 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 125.959 1.704 . . . . 0.0 111.632 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -158.07 164.04 37.08 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 126.83 2.052 . . . . 0.0 106.921 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.67 -28.77 70.13 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.58 0.752 . . . . 0.0 112.937 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.1 81.28 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.543 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 22.4 m -69.81 -34.84 74.25 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.43 73.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.82 -42.75 99.86 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.886 1.674 . . . . 0.0 110.191 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.543 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 44.9 mtmt -62.77 -48.14 80.44 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 120.923 -1.111 . . . . 0.0 110.309 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.6 t -61.55 -54.06 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -60.08 -39.73 87.08 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 117.365 -1.303 . . . . 0.0 111.298 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.4 OUTLIER -58.51 -47.9 82.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.457 1.48 . . . . 0.0 108.98 178.359 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -58.81 -43.1 90.48 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -67.7 -47.88 68.14 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.645 0.59 . . . . 0.0 112.149 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.95 92.6 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.581 -0.7 . . . . 0.0 110.166 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -32.42 73.91 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.12 -32.26 73.6 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -88.81 -6.07 57.62 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.291 1.036 . . . . 0.0 110.572 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.13 28.26 41.74 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 126.01 1.767 . . . . 0.0 113.224 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -106.46 121.14 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -147.97 104.29 3.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -142.08 -148.66 5.05 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.916 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -84.33 114.38 21.82 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 52.1 m95 -87.99 131.29 34.68 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.4 p -118.65 174.08 6.48 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 125.251 1.42 . . . . 0.0 109.007 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -150.01 134.56 17.46 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.366 -0.834 . . . . 0.0 109.988 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -122.53 86.48 2.59 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 128.961 2.904 . . . . 0.0 105.599 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.1 -39.28 66.23 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.661 1.184 . . . . 0.0 111.75 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.03 13.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.549 1.54 . . . . 0.0 113.639 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 t -129.39 13.12 6.04 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.576 1.15 . . . . 0.0 111.141 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt 43.7 56.11 4.7 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 125.367 1.467 . . . . 0.0 108.984 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 78.5 m -128.46 142.23 51.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.365 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -118.39 150.58 39.29 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 104.447 -2.427 . . . . 0.0 104.447 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.1 m -134.67 138.21 44.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.82 107.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 103.15 15.13 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 105.138 -2.171 . . . . 0.0 105.138 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.491 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 15.9 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 124.357 1.063 . . . . 0.0 111.451 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttt . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 118.76 -0.638 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.74 175.22 13.83 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 125.592 1.568 . . . . 0.0 111.862 -179.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 m -84.31 129.3 34.89 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 124.364 1.066 . . . . 0.0 111.668 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -113.25 154.45 26.75 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.576 1.15 . . . . 0.0 108.986 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -130.64 143.83 51.02 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.864 1.266 . . . . 0.0 107.632 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.1 tp -119.32 141.21 49.21 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mt -125.22 109.96 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.8 mt -86.57 105.13 16.63 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -103.24 73.43 1.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 103.255 -2.868 . . . . 0.0 103.255 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.65 141.03 15.39 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -63.34 -18.41 63.61 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.89 0.876 . . . . 0.0 111.416 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.2 p -121.45 -34.31 3.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 118.832 -0.604 . . . . 0.0 111.761 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.427 HD22 ' HB3' ' A' ' 38' ' ' ASN . 7.0 tt -136.45 130.61 32.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 125.119 1.367 . . . . 0.0 110.078 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -122.53 160.57 25.35 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.74 178.49 48.48 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -147.29 148.7 31.69 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.93 1.292 . . . . 0.0 109.268 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.2 t -151.39 164.12 37.42 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 125.475 1.51 . . . . 0.0 107.027 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -138.87 140.3 38.4 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.082 1.353 . . . . 0.0 108.283 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -146.89 151.28 36.79 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.87 114.97 29.29 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.36 156.09 30.73 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.401 0.62 . . . . 0.0 110.465 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.92 -36.28 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 118.38 -0.819 . . . . 0.0 112.086 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -154.13 166.47 33.0 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.48 -29.56 70.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.534 0.733 . . . . 0.0 111.33 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.83 -45.9 87.47 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.762 0.71 . . . . 0.0 109.971 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 m -67.1 -43.58 82.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -47.76 76.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.156 0.582 . . . . 0.0 110.709 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -56.82 -45.35 82.36 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.243 1.417 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -66.81 -49.98 64.07 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.189 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 t -54.22 -52.78 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -63.35 -40.45 97.31 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 117.203 -1.379 . . . . 0.0 111.237 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.518 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 1.4 mmtt -55.94 -47.48 77.48 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 120.993 1.724 . . . . 0.0 109.132 178.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -61.06 -44.86 96.76 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -63.69 -42.37 98.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.357 0.598 . . . . 0.0 110.927 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.39 -45.56 75.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 120.352 -1.468 . . . . 0.0 109.779 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -32.03 68.3 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.85 -43.04 89.64 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 121.546 0.689 . . . . 0.0 109.191 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' HB3' HD22 ' A' ' 13' ' ' LEU . 39.3 m-80 -77.96 -5.81 52.4 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.168 0.987 . . . . 0.0 110.237 178.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.61 36.91 53.22 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 125.387 1.47 . . . . 0.0 111.266 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.84 121.43 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 125.59 1.556 . . . . 0.0 106.89 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -156.13 105.01 2.3 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.69 -142.84 4.15 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 124.121 0.867 . . . . 0.0 111.266 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -81.73 115.25 20.88 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.518 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 51.1 m95 -87.55 132.76 33.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.6 p -123.92 171.77 9.44 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 126.486 1.914 . . . . 0.0 110.028 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -151.19 146.31 26.01 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 120.74 -1.225 . . . . 0.0 109.838 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -140.59 93.43 2.61 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.13 -29.04 65.22 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.357 1.463 . . . . 0.0 111.436 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.69 -30.2 13.13 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 127.023 2.129 . . . . 0.0 111.864 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.3 t -135.64 15.65 3.38 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.928 1.291 . . . . 0.0 108.553 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm 41.65 51.77 3.94 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 126.365 1.866 . . . . 0.0 109.185 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -117.02 149.79 39.69 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.893 -0.504 . . . . 0.0 109.945 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -124.09 142.38 51.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.231 2.213 . . . . 0.0 106.245 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -134.0 137.23 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.82 111.51 35.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.38 96.07 7.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 . . . . . 0 C--O 1.248 0.984 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.068 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.544 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 8.0 ttt . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.48 ' H ' ' HG2' ' A' ' 1' ' ' MET . . . 117.99 168.1 14.33 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 126.121 1.82 . . . . 0.0 111.763 178.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 m -85.43 113.5 21.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 104.143 -2.539 . . . . 0.0 104.143 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 21' ' ' ALA . 57.8 m-85 -92.98 164.28 13.35 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -133.96 146.5 50.52 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 124.71 1.204 . . . . 0.0 111.374 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -122.89 137.88 54.82 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 125.123 1.369 . . . . 0.0 108.294 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 mt -119.63 100.3 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.0 mt -79.05 107.49 11.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 104.2 -2.518 . . . . 0.0 104.2 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -111.34 74.94 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -97.77 147.14 18.51 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-O 121.783 0.657 . . . . 0.0 112.606 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -60.49 -27.13 67.33 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 124.99 1.316 . . . . 0.0 110.412 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -110.67 -45.74 3.47 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 124.502 1.121 . . . . 0.0 110.185 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 tp -135.3 127.8 30.59 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 119.714 1.143 . . . . 0.0 112.24 -178.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 156.78 24.49 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.231 1.413 . . . . 0.0 109.275 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.95 170.02 40.98 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 124.006 0.812 . . . . 0.0 111.847 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.61 139.86 49.26 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.43 1.492 . . . . 0.0 108.622 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 t -147.12 166.01 28.23 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.019 1.328 . . . . 0.0 108.362 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -141.44 150.45 42.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.515 1.126 . . . . 0.0 109.512 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.483 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 1.2 t -145.93 146.84 31.21 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -91.79 110.74 22.08 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 103.516 -2.772 . . . . 0.0 103.516 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.544 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -115.16 141.18 48.37 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -179.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.53 -34.65 69.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.093 0.957 . . . . 0.0 110.544 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -142.76 162.92 34.19 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.331 1.452 . . . . 0.0 107.77 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.27 -23.96 67.18 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 119.19 -0.433 . . . . 0.0 110.272 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.73 -50.92 54.83 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.435 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 4.6 m -58.66 -40.53 83.74 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.813 0.845 . . . . 0.0 109.11 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.94 -51.74 66.88 Favored 'General case' 0 C--N 1.343 0.314 0 O-C-N 123.664 0.602 . . . . 0.0 110.162 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -51.78 -47.73 64.09 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 125.125 1.37 . . . . 0.0 111.168 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 51.4 mtmt -65.77 -49.86 66.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 124.739 1.215 . . . . 0.0 111.178 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.81 -46.32 87.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.483 ' CZ ' HG22 ' A' ' 19' ' ' THR . 24.2 m-85 -62.81 -40.57 97.78 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 117.684 -1.15 . . . . 0.0 111.118 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 24.7 mttp -58.67 -48.88 79.57 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 119.999 1.272 . . . . 0.0 109.615 178.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -57.83 -42.02 83.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.45 -50.39 71.63 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 124.147 0.905 . . . . 0.0 111.215 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.34 77.83 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.201 -0.937 . . . . 0.0 111.981 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -31.4 69.95 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.543 0.737 . . . . 0.0 110.287 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.1 -31.39 72.23 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.844 0.858 . . . . 0.0 109.707 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -95.15 0.65 54.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.126 1.37 . . . . 0.0 111.379 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.14 26.63 52.08 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.713 1.149 . . . . 0.0 114.151 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 t -108.56 118.78 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 125.245 1.418 . . . . 0.0 108.472 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -152.49 84.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.04 -152.69 8.46 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 125.081 1.324 . . . . 0.0 111.563 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -82.39 107.55 15.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.527 1.131 . . . . 0.0 108.809 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 65.6 m95 -79.4 138.95 37.83 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.57 1.148 . . . . 0.0 109.062 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.7 p -125.34 -168.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 126.538 1.935 . . . . 0.0 107.768 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -165.09 145.1 7.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.428 1.491 . . . . 0.0 107.364 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -133.82 87.18 2.35 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -56.86 -35.39 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 123.122 0.569 . . . . 0.0 112.141 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.9 -29.63 12.53 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.856 1.662 . . . . 0.0 112.586 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 t -135.62 19.29 3.31 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.993 1.317 . . . . 0.0 109.2 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 34.42 59.48 0.63 Allowed 'General case' 0 C--N 1.347 0.467 0 C-N-CA 128.323 2.649 . . . . 0.0 110.93 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.7 m -126.82 150.62 49.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.659 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -124.01 152.25 42.79 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.071 -2.196 . . . . 0.0 105.071 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -131.65 138.8 48.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.16 107.03 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 103.865 -2.642 . . . . 0.0 103.865 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.35 97.47 9.86 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.756 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.242 0.684 0 N-CA-C 103.219 -2.882 . . . . 0.0 103.219 177.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.43 ' HG3' ' H ' ' A' ' 2' ' ' GLY . 3.1 ttt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.43 ' H ' ' HG3' ' A' ' 1' ' ' MET . . . 131.01 172.43 13.12 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 125.292 1.425 . . . . 0.0 111.74 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 m -82.61 114.6 21.11 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -92.9 164.32 13.36 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 126.239 1.816 . . . . 0.0 106.81 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -133.57 146.86 51.39 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.453 1.101 . . . . 0.0 111.198 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.6 tp -124.87 141.78 51.89 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.8 mt -124.92 106.22 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 126.05 1.74 . . . . 0.0 107.048 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.3 mt -85.86 105.0 16.04 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -107.36 74.3 0.96 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.28 1.832 . . . . 0.0 106.413 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.67 155.41 18.35 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-O 123.265 1.48 . . . . 0.0 115.587 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -72.93 -13.36 61.24 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.919 1.688 . . . . 0.0 111.294 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.1 p -130.79 -35.11 1.46 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 119.259 0.936 . . . . 0.0 112.868 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -135.69 144.53 46.01 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -142.05 160.5 40.09 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.427 1.091 . . . . 0.0 108.538 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.38 169.28 33.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -130.6 152.01 50.44 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 120.918 -1.342 . . . . 0.0 108.441 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -151.21 165.01 35.27 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -134.16 146.23 49.99 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.39 151.55 38.45 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -101.24 117.72 35.54 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.06 153.63 46.58 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.814 0.816 . . . . 0.0 110.823 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.28 -41.17 86.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.458 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -145.09 161.8 38.57 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 125.417 1.487 . . . . 0.0 108.409 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.5 -33.93 68.54 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.424 0.69 . . . . 0.0 109.277 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.41 93.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.123 0.969 . . . . 0.0 110.867 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 m -75.26 -39.98 59.3 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.37 -44.81 80.53 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.79 -40.0 86.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.345 1.058 . . . . 0.0 111.21 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -66.11 -50.83 62.67 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.256 0.934 . . . . 0.0 109.576 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -57.53 -46.85 86.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.66 0.6 . . . . 0.0 109.473 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -66.13 -40.48 90.7 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 117.679 -1.153 . . . . 0.0 111.168 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.528 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.5 mttt -55.89 -48.46 75.56 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 120.167 1.349 . . . . 0.0 108.442 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -63.31 -42.5 99.03 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.597 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.41 -45.53 93.27 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-O 121.672 0.749 . . . . 0.0 110.434 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.67 -49.32 69.02 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.16 -0.962 . . . . 0.0 110.717 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.46 -32.49 68.78 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.489 0.716 . . . . 0.0 109.633 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -66.02 -36.88 84.45 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -84.17 -4.65 58.95 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.336 1.054 . . . . 0.0 109.973 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.89 36.41 41.89 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 124.881 1.229 . . . . 0.0 112.105 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -114.54 125.23 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -156.34 104.59 2.23 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 177.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.433 ' H ' ' CG2' ' A' ' 55' ' ' VAL . . . -138.22 -155.12 6.69 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 124.843 1.211 . . . . 0.0 110.973 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -78.37 111.78 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.528 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 60.5 m95 -82.56 138.45 34.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.392 1.477 . . . . 0.0 110.048 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.3 p -129.71 172.29 11.77 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.616 1.966 . . . . 0.0 110.472 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -142.39 133.34 25.77 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 120.791 -1.193 . . . . 0.0 109.084 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -123.18 80.52 1.78 Allowed 'General case' 0 C--O 1.236 0.361 0 C-N-CA 127.578 2.351 . . . . 0.0 106.159 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -52.56 -32.86 43.05 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.93 1.292 . . . . 0.0 112.739 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.63 -29.8 11.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.404 2.282 . . . . 0.0 113.011 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.0 t -136.03 17.8 3.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.508 1.923 . . . . 0.0 107.092 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? 36.21 52.28 0.87 Allowed 'General case' 0 C--N 1.35 0.589 0 C-N-CA 128.586 2.754 . . . . 0.0 109.939 -178.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -113.01 157.33 21.66 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 113.881 -1.508 . . . . 0.0 109.596 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -128.34 145.5 51.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.392 2.277 . . . . 0.0 106.915 178.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.6 m -134.74 138.26 44.19 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.433 ' CG2' ' H ' ' A' ' 42' ' ' GLY . 4.1 p -119.92 112.98 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 178.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.06 96.05 6.98 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.873 0.368 . . . . 0.0 110.54 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 C--O 1.246 0.887 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 178.238 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 4.5 ttt . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 119.892 -0.099 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.01 176.88 14.59 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 125.493 1.521 . . . . 0.0 111.055 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -81.29 114.25 19.95 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -96.9 162.86 13.21 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.689 1.196 . . . . 0.0 107.808 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -137.22 147.86 46.1 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 123.968 0.907 . . . . 0.0 111.298 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.48 HD21 HD21 ' A' ' 8' ' ' LEU . 40.6 tp -129.69 129.87 44.79 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.8 mt -109.95 112.43 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.48 HD21 HD21 ' A' ' 6' ' ' LEU . 86.9 mt -91.71 109.08 20.39 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -110.66 75.09 0.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.482 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -89.86 152.92 22.7 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-O 121.796 0.664 . . . . 0.0 112.538 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -67.03 -22.25 65.89 Favored 'General case' 0 CA--C 1.518 -0.255 0 O-C-N 122.136 -0.626 . . . . 0.0 110.771 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.7 p -119.43 -33.72 4.01 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 117.488 -1.244 . . . . 0.0 111.549 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -135.84 143.13 44.94 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.781 1.173 . . . . 0.0 109.746 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.41 156.53 48.77 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.31 -178.41 44.2 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.406 1.003 . . . . 0.0 111.544 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -143.93 143.67 31.36 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 125.661 1.585 . . . . 0.0 109.093 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 t -147.86 167.49 24.66 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.792 1.237 . . . . 0.0 108.663 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.4 p -144.34 146.62 32.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.463 1.105 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.412 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 4.4 t -146.83 139.04 24.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.096 0.407 . . . . 0.0 110.596 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -89.85 105.88 18.1 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 103.016 -2.957 . . . . 0.0 103.016 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -111.3 156.25 21.81 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 123.384 0.674 . . . . 0.0 109.534 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.1 p -67.91 -40.77 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.023 0.929 . . . . 0.0 110.886 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.98 166.38 27.89 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.99 0.916 . . . . 0.0 108.691 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.48 -37.87 76.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.951 1.3 . . . . 0.0 111.694 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.15 -49.41 72.23 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.469 0.652 . . . . 0.0 109.531 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -43.11 96.04 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.949 0.9 . . . . 0.0 109.63 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.88 71.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.85 -44.13 77.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.567 1.547 . . . . 0.0 111.411 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.57 -47.23 82.36 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 121.484 -0.76 . . . . 0.0 109.934 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -60.36 -46.72 94.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CZ ' HG22 ' A' ' 19' ' ' THR . 13.6 m-85 -63.22 -40.81 98.52 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 117.334 -1.317 . . . . 0.0 111.232 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -59.36 -47.09 86.75 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.051 1.75 . . . . 0.0 109.923 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -59.46 -42.11 91.27 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -67.9 -48.96 64.57 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 124.032 0.933 . . . . 0.0 111.112 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.28 84.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.008 -1.057 . . . . 0.0 109.577 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -32.72 74.27 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -63.48 -26.24 68.63 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.151 0.581 . . . . 0.0 109.96 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -98.14 -2.73 39.29 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.989 1.316 . . . . 0.0 109.724 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.47 33.25 44.11 Favored Glycine 0 C--N 1.338 0.639 0 C-N-CA 126.336 1.922 . . . . 0.0 112.352 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.87 120.93 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 125.286 1.434 . . . . 0.0 107.256 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -149.64 102.4 3.16 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -139.69 -152.14 5.8 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 123.649 0.642 . . . . 0.0 112.245 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -82.88 114.94 21.53 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -86.14 140.05 30.55 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 122.808 0.443 . . . . 0.0 109.906 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.6 p -127.48 -178.84 4.62 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.706 1.602 . . . . 0.0 109.1 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -155.41 133.86 11.77 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.313 -0.867 . . . . 0.0 109.43 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -119.61 85.98 2.47 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 129.339 3.056 . . . . 0.0 106.731 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -52.87 -37.96 61.05 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.188 1.395 . . . . 0.0 112.021 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.19 -26.96 5.15 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.675 1.99 . . . . 0.0 113.517 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.2 t -135.18 11.02 3.55 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.961 1.704 . . . . 0.0 109.826 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.252 4.6 ptpp? 40.66 58.66 2.34 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.928 2.091 . . . . 0.0 109.312 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.3 m -129.43 140.58 51.27 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.835 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -108.41 152.08 25.16 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.2 m -132.97 136.16 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 178.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.9 p -120.79 111.06 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 m -102.54 104.62 15.04 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.482 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 16.5 tt0 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 125.624 1.57 . . . . 0.0 109.328 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ttt . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.07 177.96 15.25 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 127.655 2.55 . . . . 0.0 112.139 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -79.25 113.58 17.5 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -92.42 162.84 14.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -133.62 146.7 51.16 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 123.944 0.898 . . . . 0.0 111.251 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.46 HD21 HD21 ' A' ' 8' ' ' LEU . 60.6 tp -125.67 143.79 50.88 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.218 1.407 . . . . 0.0 108.652 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.6 mt -127.44 109.3 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 126.706 2.002 . . . . 0.0 106.847 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.46 HD21 HD21 ' A' ' 6' ' ' LEU . 90.9 mt -90.24 105.14 17.61 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -107.59 74.58 0.97 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 124.774 1.23 . . . . 0.0 108.353 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.41 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -97.38 152.02 19.9 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-O 123.186 1.437 . . . . 0.0 114.592 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -75.67 -9.63 58.75 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 126.183 1.793 . . . . 0.0 110.637 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.8 p -116.02 -49.3 2.71 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.775 1.23 . . . . 0.0 109.892 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.7 tp -136.69 158.86 43.46 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 125.546 1.538 . . . . 0.0 108.966 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.63 157.22 46.55 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.65 1.58 . . . . 0.0 107.435 176.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.18 177.16 46.51 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.57 1.081 . . . . 0.0 111.132 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -149.47 152.77 36.21 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.079 0.952 . . . . 0.0 109.759 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.1 t -156.85 171.61 20.1 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.508 1.123 . . . . 0.0 109.476 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 p -137.56 146.48 44.13 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.68 1.992 . . . . 0.0 108.051 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 t -145.79 151.74 38.42 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -99.92 119.33 38.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.61 144.58 51.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.369 0.604 . . . . 0.0 110.197 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.4 p -67.79 -41.42 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 114.509 -1.223 . . . . 0.0 112.16 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -139.88 163.23 33.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.572 1.149 . . . . 0.0 108.293 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.52 -37.28 67.7 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.584 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.89 75.72 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -58.29 -48.59 79.99 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.834 1.654 . . . . 0.0 109.26 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.35 -47.84 80.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.569 0.748 . . . . 0.0 110.742 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -61.26 -37.33 82.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.344 0.657 . . . . 0.0 111.619 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -70.91 -50.56 33.5 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.956 0.798 . . . . 0.0 110.315 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.6 t -55.93 -46.98 80.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 O-C-N 123.934 0.772 . . . . 0.0 109.217 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -67.93 -40.29 83.34 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 117.24 -1.362 . . . . 0.0 110.963 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -56.33 -48.31 77.0 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 120.564 1.529 . . . . 0.0 109.188 178.17 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -61.64 -42.27 98.66 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -61.35 -47.46 85.79 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.373 0.606 . . . . 0.0 110.039 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.5 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.016 -1.053 . . . . 0.0 110.886 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -33.34 70.99 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -67.89 -28.55 67.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.431 0.692 . . . . 0.0 109.447 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -91.43 -2.33 57.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.535 1.134 . . . . 0.0 109.166 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.35 38.56 70.76 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 125.135 1.35 . . . . 0.0 111.258 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.39 122.92 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -152.09 102.77 2.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.29 -153.98 6.08 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 124.358 0.98 . . . . 0.0 111.196 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -76.26 111.63 11.9 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.295 0.638 . . . . 0.0 109.695 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.492 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.2 m95 -82.71 132.37 35.18 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.3 p -127.49 169.23 13.9 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 128.028 2.531 . . . . 0.0 108.96 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.405 ' CZ ' ' HA ' ' A' ' 48' ' ' ASP . 56.5 t80 -143.74 144.45 31.83 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.352 1.061 . . . . 0.0 109.039 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.62 87.33 2.61 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.448 2.299 . . . . 0.0 105.31 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.405 ' HA ' ' CZ ' ' A' ' 46' ' ' TYR . 23.2 t70 -53.99 -34.76 60.73 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.951 1.301 . . . . 0.0 113.119 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.58 -25.6 39.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.317 2.247 . . . . 0.0 114.144 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -136.38 14.95 3.22 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.338 1.855 . . . . 0.0 108.619 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt 37.05 50.77 0.94 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 127.434 2.293 . . . . 0.0 110.029 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.4 m -116.42 157.22 25.46 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.708 1.203 . . . . 0.0 109.993 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -127.81 146.67 50.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 127.036 2.134 . . . . 0.0 108.155 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.7 m -135.51 128.17 30.88 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -109.64 109.85 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 98.03 9.22 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.059 0.544 . . . . 0.0 110.406 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.41 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 5.1 tt0 . . . . . 0 C--O 1.248 1.003 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.63 169.08 12.29 Favored Glycine 0 C--N 1.336 0.563 0 C-N-CA 124.994 1.283 . . . . 0.0 110.702 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 m -81.09 117.16 21.43 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -96.09 164.24 12.78 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 126.993 2.117 . . . . 0.0 107.046 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.59 146.64 49.79 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.189 0.996 . . . . 0.0 111.118 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 31.2 tp -122.06 138.1 54.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -119.2 109.0 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 126.276 1.83 . . . . 0.0 106.301 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.9 mt -87.41 105.18 17.1 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 104.913 -2.255 . . . . 0.0 104.913 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -108.4 74.47 0.93 Allowed 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.785 1.634 . . . . 0.0 107.521 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.86 156.96 19.27 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-O 123.465 1.592 . . . . 0.0 114.742 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -73.69 -18.99 60.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 113.677 -1.261 . . . . 0.0 111.458 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.8 p -122.09 -40.77 2.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.94 1.696 . . . . 0.0 113.572 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 38' ' ' ASN . 8.3 tt -132.59 139.01 47.61 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -178.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -135.1 161.05 36.43 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.441 1.096 . . . . 0.0 108.822 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.82 -178.63 45.63 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -145.0 146.11 31.78 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.3 t -149.48 161.07 42.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 p -131.83 147.75 52.5 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.411 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 1.3 t -145.75 151.4 37.92 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -101.29 109.07 20.87 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.64 147.82 40.38 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.509 0.671 . . . . 0.0 109.933 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 m -67.73 -39.54 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.75 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.7 p30 -145.9 174.01 11.63 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 126.447 1.899 . . . . 0.0 108.861 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.86 76.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.082 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.79 -50.62 71.6 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 118.616 -0.707 . . . . 0.0 112.461 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.2 m -62.64 -44.54 96.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.11 70.71 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.673 0.669 . . . . 0.0 110.501 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.83 -45.88 82.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.361 1.064 . . . . 0.0 111.74 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -66.48 -50.2 64.1 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.267 0.627 . . . . 0.0 110.509 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -55.82 -48.58 78.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.411 ' CZ ' HG22 ' A' ' 19' ' ' THR . 16.2 m-85 -62.81 -43.57 98.45 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.787 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -54.47 -49.99 68.8 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 119.107 0.867 . . . . 0.0 110.052 179.045 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -62.61 -41.86 99.23 Favored 'General case' 0 N--CA 1.436 -1.129 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -60.71 -46.06 91.84 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.323 0.582 . . . . 0.0 110.788 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.54 -48.65 71.75 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.225 -0.922 . . . . 0.0 110.684 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -32.56 68.51 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.193 0.597 . . . . 0.0 109.469 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -67.61 -32.83 73.83 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.406 ' HB3' HD22 ' A' ' 13' ' ' LEU . 24.8 m-80 -85.26 -2.4 58.01 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.761 0.825 . . . . 0.0 109.208 177.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.36 20.79 74.3 Favored Glycine 0 C--N 1.338 0.669 0 C-N-CA 125.875 1.702 . . . . 0.0 112.841 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -97.87 122.52 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -151.17 103.28 3.01 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.72 -155.07 6.34 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 124.525 1.059 . . . . 0.0 111.368 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -79.23 112.12 16.14 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.563 1.145 . . . . 0.0 108.704 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.52 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 58.9 m95 -86.71 132.58 33.83 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.237 1.415 . . . . 0.0 110.635 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.1 p -124.22 176.02 6.68 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.945 2.098 . . . . 0.0 110.888 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -144.99 134.66 23.39 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 121.226 -0.921 . . . . 0.0 109.6 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -122.57 83.34 2.1 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 127.563 2.345 . . . . 0.0 105.701 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -55.48 -33.43 63.68 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.666 0.787 . . . . 0.0 112.178 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.23 -28.28 7.37 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.494 1.917 . . . . 0.0 113.41 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 t -135.49 17.09 3.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.774 1.63 . . . . 0.0 108.366 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? 38.45 55.49 1.84 Allowed 'General case' 0 C--N 1.345 0.413 0 C-N-CA 127.748 2.419 . . . . 0.0 109.726 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.6 m -118.8 156.75 28.86 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 113.924 -1.489 . . . . 0.0 109.783 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -127.01 142.29 51.58 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 128.025 2.53 . . . . 0.0 106.55 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 m -132.04 136.49 47.27 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -117.79 113.41 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.68 99.41 9.67 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.051 0 C-N-CA 125.126 1.37 . . . . 0.0 109.205 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.512 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -100.07 120.47 39.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -99.42 159.01 15.33 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 124.445 1.098 . . . . 0.0 108.164 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -132.71 145.44 51.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.273 1.029 . . . . 0.0 108.45 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.3 tp -122.15 138.42 54.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.9 mt -121.27 105.8 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.9 mt -85.3 105.09 15.71 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -107.52 73.91 0.94 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.412 1.485 . . . . 0.0 108.617 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -97.0 152.93 20.2 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-O 123.036 1.353 . . . . 0.0 115.09 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' H ' ' HB3' ' A' ' 57' ' ' GLU . 22.4 mmmt -69.87 -25.0 63.51 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.465 1.106 . . . . 0.0 109.477 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.8 p -109.29 -49.36 3.13 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 124.157 0.983 . . . . 0.0 112.639 -176.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 tt -135.25 148.16 49.5 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 125.02 1.328 . . . . 0.0 108.791 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -135.39 161.61 34.94 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 125.957 1.703 . . . . 0.0 109.906 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.46 -179.03 48.9 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.809 0.719 . . . . 0.0 111.589 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -147.07 149.8 33.79 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.179 0.991 . . . . 0.0 109.609 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 t -150.94 164.27 36.75 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.539 1.536 . . . . 0.0 108.134 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 p -140.35 139.87 35.46 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.669 1.587 . . . . 0.0 108.348 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 t -146.59 151.48 37.38 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -93.82 112.09 23.89 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.9 145.38 44.68 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.761 0.791 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.0 m -67.27 -32.38 57.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.145 1.378 . . . . 0.0 113.108 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -153.02 167.62 28.59 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.603 1.961 . . . . 0.0 108.15 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.82 73.0 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.657 0.783 . . . . 0.0 112.361 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.96 -47.96 70.02 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 119.13 0.877 . . . . 0.0 109.47 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 m -59.03 -44.43 91.74 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.78 -51.09 71.46 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.682 0.277 . . . . 0.0 111.112 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.06 -38.76 90.01 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.683 1.193 . . . . 0.0 111.474 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -68.46 -49.6 58.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.279 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.9 t -56.1 -50.64 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -63.89 -40.89 97.57 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 117.118 -1.42 . . . . 0.0 111.639 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.503 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.4 mttt -56.55 -49.49 74.68 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 120.673 1.579 . . . . 0.0 109.371 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -59.58 -44.05 93.46 Favored 'General case' 0 N--CA 1.434 -1.236 0 C-N-CA 123.722 0.809 . . . . 0.0 109.078 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -64.47 -45.31 87.95 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.453 0.644 . . . . 0.0 112.102 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.86 75.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 120.833 -1.167 . . . . 0.0 110.452 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -32.03 69.24 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.181 0.592 . . . . 0.0 109.68 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -67.13 -38.61 85.87 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -79.25 -4.83 52.54 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.694 0.798 . . . . 0.0 109.305 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.25 31.07 53.35 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 125.802 1.667 . . . . 0.0 111.716 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.1 t -109.86 123.85 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -152.44 104.18 2.9 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.48 -157.0 6.99 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 125.268 1.413 . . . . 0.0 111.247 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -74.31 113.33 11.41 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.503 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.2 m95 -85.48 132.69 34.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.49 0.716 . . . . 0.0 109.399 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -126.58 171.88 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 127.519 2.328 . . . . 0.0 109.365 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -146.79 149.38 33.24 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 124.208 1.003 . . . . 0.0 108.79 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.95 91.28 2.68 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 127.055 2.142 . . . . 0.0 105.386 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.38 -28.76 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.758 0.823 . . . . 0.0 111.481 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.45 -34.43 24.71 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 126.81 2.044 . . . . 0.0 112.124 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.6 t -136.16 13.96 3.3 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.152 0.581 . . . . 0.0 110.548 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttp 50.05 62.29 2.74 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 128.263 2.625 . . . . 0.0 111.682 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.9 m -129.12 154.43 46.72 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.247 0.619 . . . . 0.0 111.212 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -125.36 144.1 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 126.666 1.986 . . . . 0.0 106.988 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 m -134.92 127.43 30.62 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.9 p -110.37 113.1 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.15 95.95 6.89 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.083 0.553 . . . . 0.0 110.409 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 3.6 tt0 . . . . . 0 C--O 1.245 0.863 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.514 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.4 m -77.28 135.84 38.46 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.629 0.772 . . . . 0.0 110.042 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -122.38 157.07 32.66 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 126.649 1.98 . . . . 0.0 106.738 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -134.29 146.86 50.42 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 124.837 1.255 . . . . 0.0 111.274 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.454 HD21 HD21 ' A' ' 8' ' ' LEU . 60.4 tp -124.64 134.08 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mt -116.39 107.55 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.454 HD21 HD21 ' A' ' 6' ' ' LEU . 70.2 mt -87.07 106.84 18.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -105.26 74.67 1.11 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.422 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -90.86 147.98 19.21 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.391 -1.083 . . . . 0.0 110.391 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -72.55 -14.63 61.68 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.569 -0.959 . . . . 0.0 110.254 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -48.64 3.07 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.194 2.197 . . . . 0.0 110.098 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.7 tp -135.68 144.35 45.94 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.001 1.273 . . . . 0.0 110.444 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HE3' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -131.15 148.55 52.73 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.525 0.73 . . . . 0.0 109.772 179.323 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.57 179.42 42.06 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 123.53 0.586 . . . . 0.0 113.332 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -142.63 136.31 29.0 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 124.428 1.091 . . . . 0.0 111.169 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -139.42 165.04 28.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.458 1.503 . . . . 0.0 109.458 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.5 p -144.17 145.25 31.97 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.423 1.089 . . . . 0.0 110.075 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -146.94 152.38 38.55 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.716 1.206 . . . . 0.0 109.204 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -95.12 117.05 29.54 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.98 154.43 36.01 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 123.285 0.634 . . . . 0.0 110.668 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.28 -39.11 80.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 124.134 0.974 . . . . 0.0 110.885 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -148.17 163.89 35.59 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.72 70.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 118.959 -0.543 . . . . 0.0 110.785 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -48.23 76.5 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.414 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -61.85 -41.7 98.13 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 126.46 1.904 . . . . 0.0 108.584 178.782 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.65 69.59 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.17 -42.53 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 126.697 1.999 . . . . 0.0 109.587 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 36.6 mtmt -66.68 -48.65 68.66 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 121.019 -1.05 . . . . 0.0 110.663 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.6 t -60.78 -50.89 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -59.55 -38.73 81.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.027 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -58.27 -47.94 82.03 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 120.432 1.469 . . . . 0.0 109.669 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -59.49 -42.02 91.16 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -68.8 -45.99 69.83 Favored 'General case' 0 C--O 1.226 -0.158 0 O-C-N 123.743 0.652 . . . . 0.0 112.157 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.72 89.56 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 120.888 -1.133 . . . . 0.0 108.98 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -31.6 72.61 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.05 -29.2 70.63 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.465 0.575 . . . . 0.0 109.883 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -94.92 -0.9 53.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.075 1.35 . . . . 0.0 110.087 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.35 27.87 58.86 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 126.515 2.007 . . . . 0.0 112.696 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 t -105.41 119.12 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 125.207 1.403 . . . . 0.0 108.558 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -148.52 101.58 3.24 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -140.64 -148.13 5.08 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 124.18 0.895 . . . . 0.0 113.009 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -86.2 112.92 21.8 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -87.83 134.27 33.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.333 1.053 . . . . 0.0 111.784 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.0 p -123.26 169.55 11.18 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.681 1.992 . . . . 0.0 109.44 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -147.31 121.53 9.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.902 1.228 . . . . 0.0 111.463 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -106.7 84.67 2.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.89 2.876 . . . . 0.0 105.35 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -53.76 -36.37 62.28 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.551 1.14 . . . . 0.0 113.085 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.72 -37.58 63.46 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.916 0.886 . . . . 0.0 112.763 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.6 t -111.81 -1.65 15.51 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.478 1.111 . . . . 0.0 111.633 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt 54.71 55.18 8.18 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 126.123 1.769 . . . . 0.0 106.885 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.1 m -130.07 144.25 51.24 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.064 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -115.68 149.2 38.76 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 176.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.9 m -131.59 132.56 44.18 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 p -116.44 111.74 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 m -100.13 101.29 12.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 52.0 tt0 . . . . . 0 C--O 1.246 0.87 0 C-N-CA 127.029 2.131 . . . . 0.0 110.694 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.412 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -77.96 115.78 17.95 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -99.61 157.45 16.45 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 105.28 -2.119 . . . . 0.0 105.28 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -130.88 146.98 52.47 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 124.856 1.262 . . . . 0.0 110.215 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.7 tp -122.65 139.28 54.12 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 124.691 1.196 . . . . 0.0 108.559 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.9 mt -119.04 109.91 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 105.013 -2.217 . . . . 0.0 105.013 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -88.45 107.5 18.9 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -115.73 73.1 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.441 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -90.13 158.63 26.96 Favored Glycine 0 C--N 1.334 0.443 0 O-C-N 120.322 -1.486 . . . . 0.0 112.049 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' H ' ' HB3' ' A' ' 57' ' ' GLU . 26.7 mmmt -61.17 -28.31 69.03 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.697 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.8 p -115.57 -36.33 4.29 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 116.914 -1.517 . . . . 0.0 110.922 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.4 tp -128.39 131.56 48.5 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 121.26 1.846 . . . . 0.0 112.941 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.52 150.4 44.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.122 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.76 -176.15 44.68 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 125.388 1.47 . . . . 0.0 110.194 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -145.79 150.98 37.2 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 124.841 1.256 . . . . 0.0 108.603 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -152.25 166.37 31.99 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.951 0.901 . . . . 0.0 109.008 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.9 p -139.82 148.04 41.6 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.903 0.881 . . . . 0.0 109.869 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.495 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 1.3 t -146.19 143.25 29.15 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -97.18 105.35 17.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 102.423 -3.177 . . . . 0.0 102.423 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.39 156.66 20.49 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.944 0.778 . . . . 0.0 109.819 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -68.03 -37.52 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 123.246 0.618 . . . . 0.0 111.515 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.96 168.41 24.65 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.21 1.004 . . . . 0.0 108.843 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.05 -25.2 67.72 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 116.735 -1.602 . . . . 0.0 111.79 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.36 -50.52 45.44 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 121.13 1.786 . . . . 0.0 107.066 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.411 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 74.3 m -57.25 -43.92 83.42 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 121.192 -0.942 . . . . 0.0 108.906 178.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.28 -51.65 68.03 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.346 0.658 . . . . 0.0 110.439 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.88 -44.71 67.06 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 125.858 1.663 . . . . 0.0 110.913 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 57.5 mtmt -67.54 -49.08 65.0 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.524 1.129 . . . . 0.0 110.232 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t -56.72 -49.06 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CZ ' HG22 ' A' ' 19' ' ' THR . 26.0 m-85 -61.23 -42.57 98.84 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.943 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.483 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 5.0 mttt -56.1 -51.36 68.18 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 119.582 1.083 . . . . 0.0 109.695 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -59.26 -42.41 91.12 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-O 118.35 -0.833 . . . . 0.0 108.92 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -67.15 -44.03 80.84 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 124.085 0.866 . . . . 0.0 112.457 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.38 75.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 120.605 -1.309 . . . . 0.0 110.96 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -28.76 70.2 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 123.368 0.418 . . . . 0.0 110.323 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.41 -40.25 96.7 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -82.63 -1.54 51.3 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.47 1.108 . . . . 0.0 110.651 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.21 24.76 58.75 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 125.809 1.671 . . . . 0.0 113.95 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -107.08 118.46 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 125.662 1.585 . . . . 0.0 109.705 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -154.38 93.07 1.56 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.493 ' H ' ' CG2' ' A' ' 55' ' ' VAL . . . -117.74 -140.24 6.49 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 124.567 1.08 . . . . 0.0 111.297 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -89.66 114.34 25.95 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.483 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 53.9 m95 -86.0 134.05 33.88 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.797 0.439 . . . . 0.0 110.347 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.1 p -126.13 176.64 6.9 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.855 1.662 . . . . 0.0 108.636 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -157.69 129.95 7.18 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.565 -1.334 . . . . 0.0 110.076 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -113.62 78.0 1.1 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -52.54 -34.54 50.58 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.148 0.979 . . . . 0.0 111.586 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.67 -33.41 22.49 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 126.425 1.89 . . . . 0.0 112.091 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 t -127.77 12.81 6.84 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.225 1.41 . . . . 0.0 110.812 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp 51.74 39.1 24.7 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 126.469 1.908 . . . . 0.0 113.287 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -116.76 130.08 56.5 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -101.58 152.13 21.16 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 105.056 -2.201 . . . . 0.0 105.056 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.1 m -135.81 116.25 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 120.529 -1.357 . . . . 0.0 108.304 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.493 ' CG2' ' H ' ' A' ' 42' ' ' GLY . 4.8 p -100.92 108.3 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.3 m -107.8 104.71 14.27 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.441 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 1.8 tt0 . . . . . 0 C--O 1.255 1.375 0 N-CA-C 104.895 -2.261 . . . . 0.0 104.895 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.553 0 CA-C-O 121.717 0.621 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 m -90.2 122.42 33.12 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -106.38 159.19 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 125.803 1.641 . . . . 0.0 108.718 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -130.57 146.18 52.03 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.299 1.44 . . . . 0.0 109.846 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.401 HD21 HD21 ' A' ' 8' ' ' LEU . 41.5 tp -123.44 136.45 54.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt -121.28 104.63 15.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.401 HD21 HD21 ' A' ' 6' ' ' LEU . 96.9 mt -83.38 105.33 14.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -107.5 74.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.444 1.098 . . . . 0.0 108.629 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 57' ' ' GLU . . . -94.93 154.62 21.26 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-O 122.152 0.862 . . . . 0.0 113.448 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -70.3 -20.77 63.0 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.01 -0.595 . . . . 0.0 111.138 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.7 p -112.48 -43.44 3.49 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.486 1.115 . . . . 0.0 111.967 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 tp -134.25 152.46 51.83 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.213 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.38 157.23 46.23 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.32 1.448 . . . . 0.0 107.844 177.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.03 166.61 39.21 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.055 0.836 . . . . 0.0 111.502 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -132.6 146.75 52.14 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 121.069 -1.254 . . . . 0.0 107.678 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 t -153.64 157.86 40.25 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.455 1.102 . . . . 0.0 108.238 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 p -130.82 143.58 50.84 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.065 1.346 . . . . 0.0 107.556 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.24 151.72 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -97.66 126.12 42.81 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.28 146.39 50.76 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.85 -36.96 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.731 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -148.55 164.3 34.64 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 126.017 1.727 . . . . 0.0 107.74 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.39 -33.87 68.28 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.186 1.394 . . . . 0.0 110.953 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.64 -50.39 73.69 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.611 0.641 . . . . 0.0 109.862 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.423 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 84.7 m -60.76 -44.77 96.32 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.953 1.301 . . . . 0.0 109.458 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.53 -51.09 71.33 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -61.63 -36.98 82.31 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.694 1.197 . . . . 0.0 111.207 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 49.3 mtmt -69.25 -50.21 49.21 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 119.196 0.907 . . . . 0.0 109.524 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.25 -49.21 80.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -63.21 -41.68 99.17 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 117.629 -1.177 . . . . 0.0 111.025 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.514 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.8 mttt -57.06 -48.82 77.64 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 120.562 1.528 . . . . 0.0 108.986 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.532 HE21 ' ND2' ' A' ' 36' ' ' ASN . 8.6 tp60 -62.9 -41.23 99.37 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.244 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -62.08 -45.98 91.12 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.849 0.833 . . . . 0.0 110.661 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.9 73.42 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 120.949 -1.094 . . . . 0.0 109.508 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.532 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.96 -31.68 70.1 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 119.217 -0.42 . . . . 0.0 110.119 178.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -64.77 -38.42 90.92 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -82.76 -4.45 57.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.884 1.674 . . . . 0.0 110.117 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.31 43.43 38.53 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 125.171 1.367 . . . . 0.0 110.695 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -124.44 120.62 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 125.08 1.352 . . . . 0.0 108.041 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -159.41 97.73 1.36 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.8 -138.9 3.99 Favored Glycine 0 C--O 1.224 -0.479 0 O-C-N 124.337 1.023 . . . . 0.0 111.773 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -82.92 110.99 18.39 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.679 0.792 . . . . 0.0 109.85 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.514 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 66.2 m95 -87.7 134.59 33.63 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.557 1.543 . . . . 0.0 110.865 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.1 p -127.03 172.29 10.62 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.877 2.071 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -144.61 143.85 30.98 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 119.847 1.203 . . . . 0.0 108.935 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.35 90.23 2.65 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 126.476 1.91 . . . . 0.0 106.295 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.27 -35.68 67.72 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.934 0.893 . . . . 0.0 112.089 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.53 -27.46 6.72 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.29 1.836 . . . . 0.0 112.963 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.9 t -135.5 16.39 3.39 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.682 1.593 . . . . 0.0 109.743 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt 38.68 50.29 1.59 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 127.651 2.38 . . . . 0.0 110.275 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -116.79 157.84 24.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.818 0.847 . . . . 0.0 110.595 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -129.34 143.16 50.74 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 127.572 2.349 . . . . 0.0 106.097 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.3 m -134.07 135.29 43.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.3 p -118.91 111.12 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.93 98.24 10.91 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 1.6 tm-20 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 124.843 1.257 . . . . 0.0 109.797 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -85.75 127.6 34.57 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -111.8 158.28 19.57 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.492 1.117 . . . . 0.0 108.148 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -131.56 146.02 52.01 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.278 1.431 . . . . 0.0 109.712 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.484 HD21 HD21 ' A' ' 8' ' ' LEU . 39.8 tp -122.15 137.67 54.74 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.2 mt -122.63 104.78 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 126.469 1.907 . . . . 0.0 106.137 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.484 HD21 HD21 ' A' ' 6' ' ' LEU . 96.4 mt -83.76 105.37 14.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -106.61 75.04 1.04 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.475 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -94.47 161.9 24.28 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-O 123.42 1.567 . . . . 0.0 116.384 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -70.11 -25.57 63.56 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 125.54 1.536 . . . . 0.0 110.718 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -114.69 -39.35 3.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 119.045 -0.502 . . . . 0.0 112.224 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -135.72 158.74 43.65 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.57 150.84 45.53 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.45 175.03 41.28 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.17 152.41 39.2 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.571 0.748 . . . . 0.0 109.047 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -157.54 159.78 37.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.328 1.051 . . . . 0.0 108.743 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.94 142.44 50.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.19 1.396 . . . . 0.0 108.963 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.449 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 4.0 t -145.53 144.01 30.29 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -87.72 117.66 26.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 104.286 -2.487 . . . . 0.0 104.286 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.09 147.41 47.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 118.547 0.612 . . . . 0.0 110.277 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.2 -30.28 48.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.757 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -154.56 162.63 41.05 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 125.338 1.455 . . . . 0.0 108.066 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -29.02 66.26 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 124.011 0.925 . . . . 0.0 110.716 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.32 70.01 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.342 0.591 . . . . 0.0 109.883 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.494 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 9.5 m -60.11 -44.75 94.62 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.81 -50.55 73.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -58.84 -40.8 85.33 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.104 0.562 . . . . 0.0 112.035 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.494 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 7.9 mtmp? -67.42 -48.91 65.91 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.242 0.928 . . . . 0.0 109.785 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.87 -49.09 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.449 ' CZ ' HG22 ' A' ' 19' ' ' THR . 16.9 m-30 -63.62 -41.65 98.27 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 117.556 -1.212 . . . . 0.0 110.663 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -56.34 -48.55 76.53 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 120.647 1.567 . . . . 0.0 108.745 178.057 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.516 HE21 ' ND2' ' A' ' 36' ' ' ASN . 13.2 tp60 -62.78 -41.92 99.47 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.14 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -63.75 -43.76 95.49 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 118.442 0.564 . . . . 0.0 111.442 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.67 72.24 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.036 -1.04 . . . . 0.0 109.383 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.516 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.89 -32.45 69.53 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.6 0.562 . . . . 0.0 109.623 178.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -65.97 -36.51 83.51 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.479 -0.763 . . . . 0.0 109.203 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -83.76 -3.34 57.74 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.565 1.146 . . . . 0.0 109.888 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.77 42.3 46.74 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 125.002 1.287 . . . . 0.0 111.087 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -117.41 123.07 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -152.69 97.13 2.2 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.43 -152.78 5.8 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 124.861 1.22 . . . . 0.0 112.141 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.15 112.13 13.49 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.915 0.886 . . . . 0.0 109.953 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.501 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 61.4 m95 -85.4 133.54 34.12 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.522 1.129 . . . . 0.0 110.031 179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.6 p -124.73 176.71 6.4 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.754 2.022 . . . . 0.0 110.908 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -148.08 146.72 28.95 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 120.428 -1.42 . . . . 0.0 109.42 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -138.07 86.23 2.16 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.586 1.954 . . . . 0.0 107.782 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.05 -27.71 67.17 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.542 -1.349 . . . . 0.0 111.574 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.91 -29.36 11.84 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.92 1.688 . . . . 0.0 113.224 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -135.76 11.64 3.41 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.896 2.079 . . . . 0.0 108.843 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 45.05 51.33 8.93 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 127.283 2.233 . . . . 0.0 109.007 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.8 m -115.37 158.03 23.03 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.341 1.056 . . . . 0.0 110.074 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -131.04 145.31 51.99 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 128.411 2.684 . . . . 0.0 106.463 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 m -134.88 137.59 43.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 p -119.84 110.67 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.46 98.02 10.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 122.662 0.385 . . . . 0.0 110.55 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.475 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 5.1 tt0 . . . . . 0 C--O 1.254 1.335 0 N-CA-C 104.631 -2.359 . . . . 0.0 104.631 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -79.98 125.01 29.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -107.05 159.93 15.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.274 1.83 . . . . 0.0 107.216 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -131.27 145.63 51.97 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.992 1.317 . . . . 0.0 109.997 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.485 HD21 HD21 ' A' ' 8' ' ' LEU . 38.8 tp -124.88 134.48 52.68 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 177.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -119.06 107.54 21.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.485 HD21 HD21 ' A' ' 6' ' ' LEU . 92.4 mt -85.43 104.44 15.23 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -103.15 73.94 1.26 Allowed 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.9 152.62 20.83 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 124.106 1.948 . . . . 0.0 115.262 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -78.68 -14.31 59.36 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 126.102 1.761 . . . . 0.0 109.001 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.6 p -104.04 -60.92 1.51 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.293 2.237 . . . . 0.0 109.909 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.405 HD12 ' H ' ' A' ' 14' ' ' LYS . 44.6 tp -136.55 159.25 42.37 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.519 1.928 . . . . 0.0 107.696 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.405 ' H ' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -133.15 156.87 46.67 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.621 1.168 . . . . 0.0 108.319 177.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.42 175.89 42.95 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.816 -0.513 . . . . 0.0 111.816 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -146.19 149.51 34.09 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.232 1.013 . . . . 0.0 108.72 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -153.11 158.63 42.15 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.578 1.551 . . . . 0.0 107.989 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p -132.45 138.0 47.45 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.27 152.9 39.92 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -99.48 127.12 45.52 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.8 148.63 52.57 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.55 0.74 . . . . 0.0 110.129 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.3 p -68.26 -38.56 79.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 123.428 0.691 . . . . 0.0 111.933 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -148.61 169.44 20.33 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.363 1.865 . . . . 0.0 108.989 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -19.04 65.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.574 0.75 . . . . 0.0 112.009 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.94 -50.38 16.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.8 m -60.67 -41.51 95.2 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.54 -50.88 72.15 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.86 -37.32 86.96 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.46 0.475 . . . . 0.0 111.75 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -66.71 -50.09 63.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.024 0.829 . . . . 0.0 109.164 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.1 t -58.04 -50.55 77.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -63.13 -39.31 94.31 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 117.307 -1.33 . . . . 0.0 111.441 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 4.8 mttt -56.71 -47.86 79.0 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 120.325 1.42 . . . . 0.0 109.322 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.506 HE21 ' ND2' ' A' ' 36' ' ' ASN . 14.4 tp60 -62.02 -42.79 99.55 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -61.47 -44.87 96.32 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 121.665 0.745 . . . . 0.0 110.667 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.86 -48.4 71.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 120.383 -1.448 . . . . 0.0 111.012 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.506 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.47 -29.03 65.89 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.747 0.819 . . . . 0.0 109.903 178.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.6 -43.36 80.67 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -79.29 -5.84 55.35 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.369 1.067 . . . . 0.0 110.892 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.09 29.35 46.46 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 125.182 1.372 . . . . 0.0 112.45 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.2 t -107.2 122.49 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -151.57 99.99 2.66 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.14 -155.15 6.35 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 125.265 1.412 . . . . 0.0 111.963 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -76.98 113.08 14.29 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.38 1.072 . . . . 0.0 109.236 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.47 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 68.9 m95 -86.94 133.64 33.58 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.217 1.407 . . . . 0.0 111.516 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.9 p -125.55 175.5 7.5 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.774 2.43 . . . . 0.0 111.362 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -148.0 145.49 28.55 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 120.209 -1.557 . . . . 0.0 109.211 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.77 87.11 2.29 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 127.328 2.251 . . . . 0.0 105.172 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -57.0 -32.57 66.25 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.987 0.915 . . . . 0.0 113.086 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.05 -26.94 17.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.402 1.881 . . . . 0.0 112.021 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.7 t -135.48 15.94 3.41 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.774 1.23 . . . . 0.0 109.59 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttm 42.85 47.45 4.8 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 126.097 1.759 . . . . 0.0 111.017 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.9 m -114.9 154.13 29.24 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.364 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -129.27 142.92 50.71 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 127.492 2.317 . . . . 0.0 104.914 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.2 m -134.84 137.26 43.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -119.37 112.32 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 123.716 0.807 . . . . 0.0 108.833 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.2 96.71 10.18 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.622 1.169 . . . . 0.0 109.422 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.244 0.807 0 C-N-CA 125.188 1.395 . . . . 0.0 111.045 179.502 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m -80.65 113.97 19.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -97.89 159.21 15.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -131.88 147.03 52.45 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 124.74 1.216 . . . . 0.0 109.996 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -122.18 143.75 49.38 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.177 1.391 . . . . 0.0 107.374 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.8 mt -124.57 113.02 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.9 mt -92.42 106.92 18.82 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -113.29 73.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.1 156.87 20.95 Favored Glycine 0 C--N 1.333 0.406 0 O-C-N 120.64 -1.288 . . . . 0.0 112.759 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -68.76 -11.6 60.5 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 121.805 -0.821 . . . . 0.0 111.056 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.9 p -132.57 -39.59 1.0 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.188 1.395 . . . . 0.0 111.615 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -124.83 131.92 53.39 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 120.064 1.302 . . . . 0.0 110.064 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -133.39 160.88 36.06 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.374 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.15 -171.1 42.9 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -147.86 149.99 33.3 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.617 1.567 . . . . 0.0 107.301 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 t -152.18 166.41 31.8 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -139.78 149.19 43.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 121.645 -0.659 . . . . 0.0 110.172 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.528 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 1.6 t -145.99 149.45 34.18 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -101.24 105.66 16.79 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.37 156.4 19.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.326 1.05 . . . . 0.0 110.169 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -74.27 -39.08 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 123.15 0.58 . . . . 0.0 110.568 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -140.46 164.12 31.0 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 124.318 1.047 . . . . 0.0 108.604 -178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -25.23 68.01 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.131 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.63 -50.13 59.55 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.311 0.96 . . . . 0.0 108.88 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -58.72 -41.2 85.82 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 121.585 -0.697 . . . . 0.0 109.333 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.67 -51.46 67.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.589 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.03 -45.45 75.18 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.246 1.018 . . . . 0.0 111.174 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -65.84 -47.91 73.38 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.377 0.671 . . . . 0.0 110.484 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.5 -47.61 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.528 ' CZ ' HG22 ' A' ' 19' ' ' THR . 25.1 m-85 -62.05 -40.25 95.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.209 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 38.2 mttt -56.91 -48.25 78.66 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.182 0.901 . . . . 0.0 109.281 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -59.95 -41.04 91.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -66.39 -44.84 81.95 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 123.732 0.645 . . . . 0.0 112.026 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.67 72.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 120.583 -1.323 . . . . 0.0 110.794 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -29.43 69.24 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.499 0.72 . . . . 0.0 110.29 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.81 -43.63 92.51 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -79.8 -3.1 46.27 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.374 1.07 . . . . 0.0 110.318 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.13 20.89 63.92 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 125.284 1.421 . . . . 0.0 114.224 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.07 116.25 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.885 1.674 . . . . 0.0 106.795 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -149.47 92.43 1.93 Allowed 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.88 -149.66 6.77 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 124.68 1.133 . . . . 0.0 111.294 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -83.32 113.88 21.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.306 1.442 . . . . 0.0 107.799 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.476 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 55.4 m95 -85.91 137.92 32.39 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 123.532 0.733 . . . . 0.0 109.83 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 p -129.29 177.98 6.77 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.398 1.879 . . . . 0.0 109.001 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -155.44 142.55 19.23 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 120.482 -1.386 . . . . 0.0 109.461 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -129.74 80.93 1.99 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -54.81 -34.19 62.47 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.234 1.014 . . . . 0.0 110.86 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.01 8.25 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 127.601 2.36 . . . . 0.0 112.211 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.7 t -135.23 18.37 3.41 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.423 1.489 . . . . 0.0 110.573 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttt 44.3 49.15 7.97 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 125.233 1.413 . . . . 0.0 111.555 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.2 m -131.13 138.58 49.55 Favored 'General case' 0 C--O 1.227 -0.105 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -110.32 152.42 26.21 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.0 m -135.27 118.51 16.62 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.0 p -103.07 110.9 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.0 m -106.57 107.72 18.88 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 123.848 0.717 . . . . 0.0 110.265 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.091 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.0 m -88.67 136.22 33.11 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -114.0 153.18 29.8 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 tmmt? -130.28 145.75 51.8 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 124.643 1.177 . . . . 0.0 109.299 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.6 tp -120.31 143.94 48.09 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.4 mt -125.7 103.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.9 mt -82.42 107.13 14.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -109.96 73.47 0.84 Allowed 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.809 1.244 . . . . 0.0 109.125 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.453 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -95.35 150.26 19.61 Favored Glycine 0 N--CA 1.443 -0.893 0 O-C-N 121.295 -0.878 . . . . 0.0 111.714 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -7.78 53.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.545 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.5 p -122.17 -39.92 2.54 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.841 1.257 . . . . 0.0 111.445 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.55 153.58 51.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.662 1.585 . . . . 0.0 107.336 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -140.34 160.64 39.53 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.269 1.427 . . . . 0.0 107.215 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.93 177.2 48.4 Favored Glycine 0 CA--C 1.52 0.406 0 O-C-N 121.194 -0.941 . . . . 0.0 112.613 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -143.98 147.99 34.67 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -155.63 161.12 40.86 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 p -135.28 144.34 46.73 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.842 1.257 . . . . 0.0 109.203 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.414 HG22 ' CE1' ' A' ' 31' ' ' PHE . 9.7 t -146.93 152.54 38.83 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.197 1.399 . . . . 0.0 107.371 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -100.31 124.15 45.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.06 148.07 48.68 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 122.268 1.033 . . . . 0.0 111.705 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -67.39 -39.58 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.828 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -145.36 169.39 18.37 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.736 1.614 . . . . 0.0 108.205 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -30.96 70.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.291 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.08 -48.79 69.79 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 119.224 0.92 . . . . 0.0 109.952 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.6 m -59.5 -43.05 93.43 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 120.155 1.343 . . . . 0.0 107.821 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.67 -51.13 70.79 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 111.606 0.224 . . . . 0.0 111.606 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.03 -42.75 99.05 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.264 1.426 . . . . 0.0 111.083 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -65.62 -50.16 66.07 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.823 0.738 . . . . 0.0 109.975 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -57.81 -47.59 85.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CE1' HG22 ' A' ' 19' ' ' THR . 9.9 m-30 -66.4 -39.75 89.2 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 116.988 -1.482 . . . . 0.0 110.947 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 10.6 mttp -57.03 -47.4 81.0 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 120.712 1.597 . . . . 0.0 109.693 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.469 HE21 ' ND2' ' A' ' 36' ' ' ASN . 14.9 tp60 -61.82 -42.54 99.15 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -66.6 -41.18 88.84 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.176 0.512 . . . . 0.0 111.074 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.05 -45.93 83.32 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.036 -1.665 . . . . 0.0 109.446 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.469 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.3 -31.93 69.59 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.585 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.52 -42.99 98.45 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 123.627 0.771 . . . . 0.0 109.139 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -79.84 -4.53 52.57 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.505 1.122 . . . . 0.0 109.97 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.81 43.96 40.16 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 125.661 1.6 . . . . 0.0 110.916 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -124.28 120.34 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 C-N-CA 125.634 1.573 . . . . 0.0 108.282 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -159.18 98.33 1.43 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -134.4 -137.35 3.78 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.195 0.902 . . . . 0.0 111.765 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -83.54 111.33 18.98 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.785 0.834 . . . . 0.0 109.041 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.521 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 57.9 m95 -87.48 136.81 32.79 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.014 0.926 . . . . 0.0 110.023 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.1 p -126.08 171.48 10.8 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.058 2.143 . . . . 0.0 110.07 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -144.11 142.91 30.87 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 119.6 1.091 . . . . 0.0 109.291 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -133.69 84.51 2.13 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 126.67 1.988 . . . . 0.0 106.674 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.95 -28.6 64.47 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.69 0.796 . . . . 0.0 111.951 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.22 -28.37 18.26 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.621 1.568 . . . . 0.0 112.52 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 t -134.44 6.36 3.53 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.211 1.404 . . . . 0.0 110.178 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp 52.42 51.71 15.63 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 127.288 2.235 . . . . 0.0 109.473 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.8 m -120.85 156.26 32.35 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.439 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -127.68 147.02 50.38 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.065 2.146 . . . . 0.0 106.706 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.5 m -135.33 134.53 39.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 p -117.08 109.97 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.14 96.0 9.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 3.1 tt0 . . . . . 0 C--O 1.25 1.086 0 C-N-CA 124.767 1.227 . . . . 0.0 110.634 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -83.28 117.29 22.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.555 ' CE2' ' HE3' ' A' ' 51' ' ' LYS . 60.2 m-85 -98.91 160.79 14.02 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -133.59 147.03 51.48 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 124.881 1.272 . . . . 0.0 111.09 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HB3' HG22 ' A' ' 17' ' ' THR . 65.6 tp -123.02 138.48 54.68 Favored 'General case' 0 CA--C 1.511 -0.551 0 C-N-CA 124.613 1.165 . . . . 0.0 108.454 178.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.2 mt -119.41 106.22 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.9 mt -86.56 105.01 16.54 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -108.19 73.16 0.87 Allowed 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.426 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -85.59 155.87 29.8 Favored Glycine 0 N--CA 1.442 -0.904 0 O-C-N 120.212 -1.555 . . . . 0.0 110.508 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -68.99 -24.14 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.158 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.4 p -111.67 -49.98 2.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.552 1.141 . . . . 0.0 110.244 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 tp -125.48 132.71 52.62 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 119.3 0.955 . . . . 0.0 111.103 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 154.2 34.2 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.14 -177.43 44.21 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -147.48 152.17 37.6 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.62 1.168 . . . . 0.0 108.648 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.421 HG22 ' HB3' ' A' ' 6' ' ' LEU . 7.6 t -152.86 165.83 34.21 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.404 1.082 . . . . 0.0 108.311 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 p -140.1 147.79 40.76 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.336 1.054 . . . . 0.0 108.217 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.432 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -146.65 147.31 30.9 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 177.553 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -95.92 105.85 17.92 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 105.205 -2.146 . . . . 0.0 105.205 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.92 152.11 25.37 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.758 0.823 . . . . 0.0 109.242 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.0 p -73.89 -39.64 52.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 123.783 0.833 . . . . 0.0 110.492 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -145.49 170.2 16.86 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.79 1.236 . . . . 0.0 109.772 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.42 -30.14 71.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 117.421 -1.276 . . . . 0.0 112.191 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.44 -50.0 61.2 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.953 1.251 . . . . 0.0 107.904 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -56.66 -43.25 80.17 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 121.94 -0.475 . . . . 0.0 109.818 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.93 -51.29 67.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.487 0.715 . . . . 0.0 110.752 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -53.24 -47.19 69.22 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.177 1.391 . . . . 0.0 110.642 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -66.51 -47.75 71.98 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 123.663 0.785 . . . . 0.0 111.372 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.65 -48.21 89.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.432 ' CZ ' HG22 ' A' ' 19' ' ' THR . 26.2 m-85 -61.67 -41.21 97.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.939 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.485 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 10.2 mttt -57.17 -49.7 75.13 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 119.628 1.104 . . . . 0.0 109.971 178.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -60.55 -41.44 94.54 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.115 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -67.96 -46.06 72.47 Favored 'General case' 0 C--O 1.222 -0.362 0 O-C-N 123.851 0.719 . . . . 0.0 111.275 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.0 -47.2 84.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.81 -1.181 . . . . 0.0 110.8 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -30.34 71.48 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 123.435 0.459 . . . . 0.0 110.735 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.78 -36.64 84.96 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.04 0.936 . . . . 0.0 109.283 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -83.83 -5.0 59.11 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.857 1.263 . . . . 0.0 110.3 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.32 26.0 34.81 Favored Glycine 0 C--N 1.338 0.681 0 C-N-CA 124.974 1.273 . . . . 0.0 113.028 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.9 t -113.06 116.73 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 125.137 1.375 . . . . 0.0 109.667 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -155.08 95.9 1.78 Allowed 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.99 -137.69 3.78 Favored Glycine 0 CA--C 1.511 -0.212 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.562 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -84.41 113.91 21.52 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 55.6 m95 -89.65 141.62 28.43 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.599 0.76 . . . . 0.0 109.676 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 p -128.19 -176.98 3.97 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.719 1.608 . . . . 0.0 108.487 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -159.71 141.19 12.85 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.668 -1.27 . . . . 0.0 109.681 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -132.11 80.2 1.9 Allowed 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 127.882 2.473 . . . . 0.0 105.581 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.49 -29.35 66.18 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.834 -0.542 . . . . 0.0 111.487 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.97 -28.91 10.9 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.828 2.051 . . . . 0.0 111.147 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 t -136.4 20.26 3.15 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.6 1.96 . . . . 0.0 110.019 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.555 ' HE3' ' CE2' ' A' ' 4' ' ' TYR . 22.1 mtpp 37.77 55.6 1.55 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 128.609 2.763 . . . . 0.0 111.436 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -127.04 140.33 52.37 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -112.63 151.26 30.33 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 104.353 -2.462 . . . . 0.0 104.353 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.2 m -135.11 115.21 13.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 p -102.95 112.08 35.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 C-N-CA 124.084 0.954 . . . . 0.0 108.586 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 m -103.23 100.6 10.51 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 7.6 tm-20 . . . . . 0 C--O 1.247 0.938 0 C-N-CA 127.411 2.284 . . . . 0.0 112.593 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.829 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 m -91.31 140.81 29.42 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 114.054 -1.073 . . . . 0.0 109.66 -178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -121.5 152.77 38.78 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.169 1.788 . . . . 0.0 107.352 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -130.56 145.64 51.92 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 125.684 1.594 . . . . 0.0 109.346 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.0 tp -122.79 138.32 54.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -123.05 102.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.16 104.33 12.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -105.95 74.05 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.673 1.589 . . . . 0.0 110.043 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.43 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -93.72 156.37 22.48 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-O 123.755 1.753 . . . . 0.0 114.628 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -77.25 -13.67 59.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 113.733 -1.234 . . . . 0.0 109.854 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.1 t -127.93 -37.27 1.93 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -135.73 145.72 46.94 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -139.86 161.13 38.31 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.611 1.096 . . . . 0.0 109.967 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.94 179.24 48.91 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 119.093 0.861 . . . . 0.0 111.575 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -148.03 149.31 31.88 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.444 0.698 . . . . 0.0 110.054 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 t -153.31 159.09 42.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.492 1.117 . . . . 0.0 108.494 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.47 139.5 51.58 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 126.229 1.812 . . . . 0.0 106.626 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.34 152.02 38.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -101.84 126.75 48.79 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.15 151.58 50.52 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.207 1.003 . . . . 0.0 110.457 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 m -68.12 -40.93 83.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.372 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -144.48 170.66 15.62 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 126.157 1.783 . . . . 0.0 109.42 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.35 75.26 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.855 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.55 -47.89 74.29 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 119.295 0.952 . . . . 0.0 110.051 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.0 m -58.24 -45.58 87.51 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.72 -50.65 73.12 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.076 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.51 -39.35 90.66 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.706 1.202 . . . . 0.0 111.383 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -66.64 -50.37 63.19 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.404 1.002 . . . . 0.0 109.346 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.19 -51.18 72.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -64.23 -40.33 95.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.542 -1.218 . . . . 0.0 111.674 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.482 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 9.2 mttt -57.01 -48.12 79.24 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 120.318 1.417 . . . . 0.0 109.027 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.497 HE21 ' ND2' ' A' ' 36' ' ' ASN . 10.1 tp60 -62.15 -41.64 98.48 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -61.19 -47.03 88.02 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.797 0.808 . . . . 0.0 111.06 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.64 72.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.059 -1.026 . . . . 0.0 110.934 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.497 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.08 -31.86 69.27 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.703 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.88 -35.07 79.62 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 118.475 0.579 . . . . 0.0 109.72 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -85.45 -2.38 58.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.258 1.423 . . . . 0.0 109.526 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.71 36.54 53.24 Favored Glycine 0 C--N 1.338 0.64 0 C-N-CA 125.165 1.364 . . . . 0.0 111.349 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -115.35 122.21 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -152.31 103.27 2.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -140.92 -156.73 6.93 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 124.776 1.179 . . . . 0.0 112.391 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -74.97 113.45 12.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.482 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 62.9 m95 -87.66 132.35 34.13 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.979 0.912 . . . . 0.0 110.083 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 p -123.64 169.76 11.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.624 1.97 . . . . 0.0 109.334 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -147.72 147.35 29.83 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 119.75 1.159 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -139.12 91.73 2.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 126.275 1.83 . . . . 0.0 106.668 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.69 -32.13 70.22 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.336 -0.852 . . . . 0.0 111.754 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.9 -24.59 9.53 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.141 1.776 . . . . 0.0 113.376 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.7 t -134.77 2.76 3.19 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.695 1.598 . . . . 0.0 110.45 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.2 mttm 49.19 58.34 5.49 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 128.413 2.685 . . . . 0.0 109.65 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.8 m -127.8 150.2 49.93 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.611 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -122.34 141.39 51.6 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 127.372 2.269 . . . . 0.0 106.014 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.2 m -131.46 130.32 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.91 109.52 28.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 98.69 11.52 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 3.5 tt0 . . . . . 0 C--O 1.249 1.056 0 C-N-CA 126.59 1.956 . . . . 0.0 112.589 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.427 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.3 m -83.24 137.08 34.16 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -116.48 157.8 24.6 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 125.836 1.654 . . . . 0.0 107.01 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -132.98 145.5 50.93 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.647 1.179 . . . . 0.0 109.779 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.8 tp -122.06 142.29 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 mt -127.29 102.13 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.5 mt -81.19 105.1 12.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -108.43 74.56 0.93 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.278 1.031 . . . . 0.0 108.629 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.411 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -95.77 152.91 20.48 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-O 123.074 1.374 . . . . 0.0 113.975 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -63.83 -22.33 66.86 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.967 1.307 . . . . 0.0 110.988 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.0 t -117.93 -36.68 3.57 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.662 1.185 . . . . 0.0 113.034 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.9 tp -135.96 153.04 51.53 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 118.044 -0.979 . . . . 0.0 108.748 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.17 153.62 45.44 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.99 -179.65 44.76 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 123.676 0.655 . . . . 0.0 111.476 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -146.03 157.75 43.87 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.429 1.092 . . . . 0.0 109.782 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.5 t -159.93 163.69 34.02 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.936 1.694 . . . . 0.0 108.373 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 p -138.62 141.86 39.12 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.263 1.425 . . . . 0.0 107.998 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 t -146.9 152.36 38.57 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.629 1.172 . . . . 0.0 108.27 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -98.94 116.87 32.16 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.18 151.58 38.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.202 1.001 . . . . 0.0 109.942 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.9 p -67.24 -39.56 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 123.707 0.803 . . . . 0.0 112.021 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -148.39 164.34 34.41 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.849 1.26 . . . . 0.0 108.366 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -33.15 72.06 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.958 0.903 . . . . 0.0 111.322 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.13 95.16 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 m -66.33 -44.57 82.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 123.788 0.835 . . . . 0.0 109.032 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.61 -47.58 73.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.441 0.696 . . . . 0.0 110.083 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -59.53 -42.73 92.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.86 0.864 . . . . 0.0 111.555 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -63.67 -50.3 69.79 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.136 0.88 . . . . 0.0 110.032 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.0 t -55.91 -51.07 64.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -63.52 -38.38 90.92 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 117.34 -1.314 . . . . 0.0 111.722 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.469 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 2.5 mttt -56.87 -48.02 79.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 120.684 1.583 . . . . 0.0 108.693 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.515 HE21 ' ND2' ' A' ' 36' ' ' ASN . 13.6 tp60 -61.48 -42.77 99.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -62.48 -40.87 98.05 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.453 0.644 . . . . 0.0 111.172 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.15 74.21 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 120.703 -1.248 . . . . 0.0 109.238 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.515 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.95 -30.0 68.78 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.504 0.722 . . . . 0.0 109.551 178.218 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.51 -38.26 89.17 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.847 0.859 . . . . 0.0 109.213 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -86.82 -2.65 58.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.831 1.652 . . . . 0.0 110.48 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.79 39.38 65.77 Favored Glycine 0 C--N 1.341 0.84 0 C-N-CA 125.631 1.586 . . . . 0.0 111.507 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.4 t -115.98 121.41 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 124.952 1.301 . . . . 0.0 109.108 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -150.5 100.8 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -139.66 -148.27 5.19 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 125.818 1.675 . . . . 0.0 112.463 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -79.52 114.54 18.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.469 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 58.3 m95 -89.85 132.55 35.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.9 p -121.69 172.38 8.18 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.528 1.931 . . . . 0.0 110.01 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -146.42 138.82 25.14 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.894 -1.129 . . . . 0.0 109.072 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.63 83.22 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 127.529 2.332 . . . . 0.0 106.072 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -56.1 -27.94 55.81 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.416 1.086 . . . . 0.0 112.58 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.09 -29.12 60.14 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.671 1.589 . . . . 0.0 111.804 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.2 t -135.55 16.59 3.37 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.357 1.463 . . . . 0.0 109.48 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt 41.1 46.5 2.58 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 128.041 2.536 . . . . 0.0 110.831 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.6 m -109.07 155.32 21.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.025 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -126.42 140.57 52.38 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.777 2.431 . . . . 0.0 106.087 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.0 m -131.17 132.75 44.95 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -115.9 109.2 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.19 97.06 10.4 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.474 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 1.5 tt0 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.249 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m -75.16 137.39 41.29 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 124.291 1.037 . . . . 0.0 110.785 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 21' ' ' ALA . 76.6 m-85 -124.69 157.32 35.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.843 2.057 . . . . 0.0 107.28 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -135.62 146.18 47.63 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.183 1.393 . . . . 0.0 110.193 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.07 139.84 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.4 mt -124.79 103.66 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -83.52 105.1 14.18 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -105.08 73.88 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.7 152.5 21.12 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -64.28 -14.77 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.372 1.469 . . . . 0.0 113.296 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.8 p -142.65 -19.36 0.68 Allowed 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.394 1.477 . . . . 0.0 112.972 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -135.55 132.99 37.91 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 123.664 0.786 . . . . 0.0 109.611 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -139.29 160.3 40.14 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.182 0.515 . . . . 0.0 109.755 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.11 166.55 34.71 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.683 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -133.29 126.46 31.51 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 121.793 -0.828 . . . . 0.0 109.107 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -128.79 164.64 22.59 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.179 1.391 . . . . 0.0 109.044 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 p -145.98 138.64 25.61 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 123.721 0.809 . . . . 0.0 110.099 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.0 t -146.81 151.03 36.46 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.5 128.26 36.48 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' CD2' ' A' ' 4' ' ' TYR . . . -124.21 153.01 42.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.3 m -68.09 -37.66 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 123.532 0.733 . . . . 0.0 110.495 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -150.24 163.82 37.29 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.73 -27.57 69.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.288 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.92 68.56 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 m -62.51 -43.16 99.48 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.085 1.354 . . . . 0.0 109.356 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.59 -49.42 74.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.285 0.564 . . . . 0.0 109.767 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.46 -41.39 94.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 123.485 0.714 . . . . 0.0 111.44 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -64.43 -48.72 74.26 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.52 -0.737 . . . . 0.0 110.883 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.25 -54.77 30.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -58.69 -38.93 79.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.76 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 7.0 mttp -58.7 -49.87 76.0 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.867 1.212 . . . . 0.0 108.753 178.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -57.84 -41.65 82.76 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -67.43 -45.47 76.0 Favored 'General case' 0 C--O 1.226 -0.134 0 O-C-N 123.415 0.447 . . . . 0.0 111.415 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.26 85.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.028 -1.045 . . . . 0.0 109.485 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -31.11 70.94 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.121 0.568 . . . . 0.0 109.653 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.65 -33.0 74.91 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -91.34 -5.86 53.93 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.386 1.474 . . . . 0.0 110.623 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.76 27.96 48.61 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.851 1.691 . . . . 0.0 112.975 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.5 t -101.74 121.16 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 124.619 1.167 . . . . 0.0 108.407 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -149.91 101.41 3.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -137.59 -154.8 6.7 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 125.105 1.336 . . . . 0.0 111.946 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -85.69 115.79 23.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.442 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 62.5 m95 -88.83 136.12 33.17 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.771 0.828 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 p -122.57 167.59 13.2 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.803 1.641 . . . . 0.0 107.551 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -149.67 130.17 13.92 Favored 'General case' 0 CA--C 1.518 -0.255 0 O-C-N 121.095 -1.003 . . . . 0.0 109.509 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -117.61 91.85 3.68 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.499 1.92 . . . . 0.0 106.3 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -57.77 -36.06 71.63 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.006 0.922 . . . . 0.0 111.205 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.84 -35.11 30.74 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.974 1.31 . . . . 0.0 112.374 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 t -121.38 2.96 10.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.979 1.312 . . . . 0.0 111.766 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HE3' ' CE1' ' A' ' 4' ' ' TYR . 17.0 mtpp 47.19 59.99 3.72 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.395 1.878 . . . . 0.0 108.009 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.6 m -134.55 139.62 45.53 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.152 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -112.68 148.5 34.55 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.1 m -133.13 126.17 31.13 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 p -111.15 116.34 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 105.825 -1.916 . . . . 0.0 105.825 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.34 100.96 10.53 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 2.0 tt0 . . . . . 0 C--O 1.251 1.144 0 C-N-CA 125.084 1.354 . . . . 0.0 110.13 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.2 m -83.1 128.42 34.47 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -113.91 144.33 43.23 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.881 1.672 . . . . 0.0 108.026 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -116.87 145.98 43.22 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 124.641 1.176 . . . . 0.0 109.296 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.3 tp -125.78 129.76 50.09 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt -114.75 109.95 30.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.465 1.506 . . . . 0.0 107.064 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.89 105.27 16.95 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -104.22 74.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.401 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -97.28 143.97 17.05 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-O 122.275 0.93 . . . . 0.0 112.058 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -69.94 -18.08 63.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.166 0.586 . . . . 0.0 110.026 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 p -102.49 -55.35 2.47 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 127.226 2.21 . . . . 0.0 109.712 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.0 tp -136.47 144.22 44.25 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 122.61 0.364 . . . . 0.0 111.904 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -129.27 151.86 49.47 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.627 0.771 . . . . 0.0 109.192 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.67 173.3 45.76 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -137.52 156.79 47.72 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.316 1.047 . . . . 0.0 109.908 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 t -153.65 162.21 41.46 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.577 1.951 . . . . 0.0 107.309 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 p -136.77 136.85 39.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.42 HG22 ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -147.05 151.04 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 119.493 1.042 . . . . 0.0 108.81 179.176 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -97.47 125.61 42.24 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.726 -1.954 . . . . 0.0 105.726 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.5 153.13 45.55 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 p -68.22 -35.57 71.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-O 119.179 -0.438 . . . . 0.0 111.351 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -153.24 174.68 13.96 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 125.289 1.436 . . . . 0.0 109.082 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -22.94 67.18 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.664 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.07 -50.51 19.3 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 119.84 1.2 . . . . 0.0 109.387 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.464 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 88.4 m -57.76 -41.97 83.06 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.07 70.78 Favored 'General case' 0 N--CA 1.439 -1.0 0 O-C-N 123.389 0.431 . . . . 0.0 111.802 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.99 -39.95 91.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 50.9 mtmt -66.58 -50.0 64.5 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.301 0.641 . . . . 0.0 110.285 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.0 t -57.66 -56.8 13.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.42 ' CE1' HG22 ' A' ' 19' ' ' THR . 20.8 m-30 -56.53 -40.19 74.67 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-O 118.05 -0.976 . . . . 0.0 112.84 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 2.9 mttp -55.59 -48.33 75.03 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 118.722 0.692 . . . . 0.0 109.681 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.555 HE21 ' ND2' ' A' ' 36' ' ' ASN . 12.7 tp60 -62.26 -41.43 98.44 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -62.34 -40.4 96.23 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-O 121.769 0.795 . . . . 0.0 111.074 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.03 -45.43 70.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 120.384 -1.448 . . . . 0.0 109.502 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.555 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.31 -32.82 68.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.345 0.658 . . . . 0.0 109.361 178.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.86 -40.98 99.16 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.353 1.061 . . . . 0.0 109.346 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -83.87 -2.49 56.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.497 1.119 . . . . 0.0 110.894 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.12 41.89 59.5 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 125.175 1.369 . . . . 0.0 111.159 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.2 t -116.42 122.54 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -154.5 95.96 1.85 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.98 -138.2 3.33 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.528 1.061 . . . . 0.0 113.235 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -84.94 110.73 19.09 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.163 0.985 . . . . 0.0 111.566 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.47 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.6 m95 -85.6 136.69 33.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.806 1.242 . . . . 0.0 109.44 178.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.4 p -129.49 172.11 11.88 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.842 2.057 . . . . 0.0 110.51 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -149.23 145.52 27.15 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.738 1.154 . . . . 0.0 109.029 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -137.08 94.48 2.96 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 126.688 1.995 . . . . 0.0 106.081 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -63.21 -26.42 68.79 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.143 0.977 . . . . 0.0 112.673 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.29 -22.44 64.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.382 1.473 . . . . 0.0 113.063 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 t -135.24 10.75 3.53 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.642 1.977 . . . . 0.0 109.45 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt 38.77 52.77 1.92 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 128.29 2.636 . . . . 0.0 110.163 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.2 m -120.37 148.1 44.19 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.347 0.659 . . . . 0.0 110.987 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -119.28 140.35 50.42 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 127.642 2.377 . . . . 0.0 105.773 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.5 m -133.54 135.71 44.54 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -116.24 111.88 37.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.03 103.23 15.14 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 8.4 tt0 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 123.741 0.816 . . . . 0.0 110.271 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.156 -0.377 . . . . 0.0 112.156 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -77.82 139.36 39.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.766 0.827 . . . . 0.0 112.029 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.453 ' CD2' ' HB3' ' A' ' 21' ' ' ALA . 64.2 m-85 -126.86 160.09 31.99 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 127.609 2.364 . . . . 0.0 109.452 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -133.48 146.1 50.8 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.778 1.631 . . . . 0.0 109.691 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 tp -126.84 136.22 52.05 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.1 mt -121.12 107.14 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 105.284 -2.117 . . . . 0.0 105.284 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.7 mt -84.69 105.86 15.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -109.08 74.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.423 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -96.26 150.64 19.68 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-O 122.298 0.943 . . . . 0.0 112.458 -179.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -65.27 -20.43 66.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.653 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.0 p -125.72 -25.34 3.68 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 120.079 1.309 . . . . 0.0 112.032 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 tt -135.18 133.23 38.88 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 119.876 1.216 . . . . 0.0 108.872 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -132.83 154.28 50.47 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.09 178.68 48.2 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -143.77 133.51 23.78 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.391 1.076 . . . . 0.0 110.09 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.7 t -137.73 162.49 33.75 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.061 0.945 . . . . 0.0 109.131 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 p -141.75 137.52 31.69 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 125.91 1.684 . . . . 0.0 108.186 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 t -147.01 152.66 38.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.663 0.785 . . . . 0.0 109.613 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -93.13 122.7 35.78 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' HB3' ' CD2' ' A' ' 4' ' ' TYR . . . -117.16 149.56 40.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.716 0.807 . . . . 0.0 110.278 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m -67.91 -34.58 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 125.959 1.704 . . . . 0.0 111.632 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -158.07 164.04 37.08 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 126.83 2.052 . . . . 0.0 106.921 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.67 -28.77 70.13 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.58 0.752 . . . . 0.0 112.937 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.1 81.28 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.543 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 22.4 m -69.81 -34.84 74.25 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.43 73.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.82 -42.75 99.86 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.886 1.674 . . . . 0.0 110.191 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.543 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 44.9 mtmt -62.77 -48.14 80.44 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 120.923 -1.111 . . . . 0.0 110.309 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.6 t -61.55 -54.06 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -60.08 -39.73 87.08 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 117.365 -1.303 . . . . 0.0 111.298 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.4 OUTLIER -58.51 -47.9 82.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.457 1.48 . . . . 0.0 108.98 178.359 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -58.81 -43.1 90.48 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -67.7 -47.88 68.14 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.645 0.59 . . . . 0.0 112.149 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.95 92.6 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.581 -0.7 . . . . 0.0 110.166 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -32.42 73.91 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.12 -32.26 73.6 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -88.81 -6.07 57.62 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.291 1.036 . . . . 0.0 110.572 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.13 28.26 41.74 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 126.01 1.767 . . . . 0.0 113.224 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -106.46 121.14 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -147.97 104.29 3.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -142.08 -148.66 5.05 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.916 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -84.33 114.38 21.82 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 52.1 m95 -87.99 131.29 34.68 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.4 p -118.65 174.08 6.48 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 125.251 1.42 . . . . 0.0 109.007 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -150.01 134.56 17.46 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.366 -0.834 . . . . 0.0 109.988 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -122.53 86.48 2.59 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 128.961 2.904 . . . . 0.0 105.599 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.1 -39.28 66.23 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.661 1.184 . . . . 0.0 111.75 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.03 13.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.549 1.54 . . . . 0.0 113.639 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 t -129.39 13.12 6.04 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.576 1.15 . . . . 0.0 111.141 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt 43.7 56.11 4.7 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 125.367 1.467 . . . . 0.0 108.984 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 78.5 m -128.46 142.23 51.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.365 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -118.39 150.58 39.29 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 104.447 -2.427 . . . . 0.0 104.447 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.1 m -134.67 138.21 44.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.82 107.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 103.15 15.13 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 105.138 -2.171 . . . . 0.0 105.138 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.491 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 15.9 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 124.357 1.063 . . . . 0.0 111.451 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.741 0 CA-C-O 122.007 0.781 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 m -84.31 129.3 34.89 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 124.364 1.066 . . . . 0.0 111.668 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -113.25 154.45 26.75 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.576 1.15 . . . . 0.0 108.986 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -130.64 143.83 51.02 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.864 1.266 . . . . 0.0 107.632 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.1 tp -119.32 141.21 49.21 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mt -125.22 109.96 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.8 mt -86.57 105.13 16.63 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -103.24 73.43 1.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 103.255 -2.868 . . . . 0.0 103.255 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.65 141.03 15.39 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -63.34 -18.41 63.61 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.89 0.876 . . . . 0.0 111.416 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.2 p -121.45 -34.31 3.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 118.832 -0.604 . . . . 0.0 111.761 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.427 HD22 ' HB3' ' A' ' 38' ' ' ASN . 7.0 tt -136.45 130.61 32.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 125.119 1.367 . . . . 0.0 110.078 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -122.53 160.57 25.35 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.74 178.49 48.48 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -147.29 148.7 31.69 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.93 1.292 . . . . 0.0 109.268 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.2 t -151.39 164.12 37.42 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 125.475 1.51 . . . . 0.0 107.027 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -138.87 140.3 38.4 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.082 1.353 . . . . 0.0 108.283 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -146.89 151.28 36.79 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.87 114.97 29.29 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.36 156.09 30.73 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.401 0.62 . . . . 0.0 110.465 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.92 -36.28 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 118.38 -0.819 . . . . 0.0 112.086 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -154.13 166.47 33.0 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.48 -29.56 70.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.534 0.733 . . . . 0.0 111.33 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.83 -45.9 87.47 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.762 0.71 . . . . 0.0 109.971 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 m -67.1 -43.58 82.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -47.76 76.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.156 0.582 . . . . 0.0 110.709 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -56.82 -45.35 82.36 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.243 1.417 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -66.81 -49.98 64.07 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.189 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 t -54.22 -52.78 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -63.35 -40.45 97.31 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 117.203 -1.379 . . . . 0.0 111.237 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.518 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 1.4 mmtt -55.94 -47.48 77.48 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 120.993 1.724 . . . . 0.0 109.132 178.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -61.06 -44.86 96.76 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -63.69 -42.37 98.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.357 0.598 . . . . 0.0 110.927 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.39 -45.56 75.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 120.352 -1.468 . . . . 0.0 109.779 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -32.03 68.3 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.85 -43.04 89.64 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 121.546 0.689 . . . . 0.0 109.191 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' HB3' HD22 ' A' ' 13' ' ' LEU . 39.3 m-80 -77.96 -5.81 52.4 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.168 0.987 . . . . 0.0 110.237 178.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.61 36.91 53.22 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 125.387 1.47 . . . . 0.0 111.266 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.84 121.43 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 125.59 1.556 . . . . 0.0 106.89 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -156.13 105.01 2.3 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.69 -142.84 4.15 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 124.121 0.867 . . . . 0.0 111.266 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -81.73 115.25 20.88 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.518 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 51.1 m95 -87.55 132.76 33.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.6 p -123.92 171.77 9.44 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 126.486 1.914 . . . . 0.0 110.028 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -151.19 146.31 26.01 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 120.74 -1.225 . . . . 0.0 109.838 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -140.59 93.43 2.61 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.13 -29.04 65.22 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.357 1.463 . . . . 0.0 111.436 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.69 -30.2 13.13 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 127.023 2.129 . . . . 0.0 111.864 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.3 t -135.64 15.65 3.38 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.928 1.291 . . . . 0.0 108.553 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm 41.65 51.77 3.94 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 126.365 1.866 . . . . 0.0 109.185 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -117.02 149.79 39.69 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.893 -0.504 . . . . 0.0 109.945 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -124.09 142.38 51.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.231 2.213 . . . . 0.0 106.245 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -134.0 137.23 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.82 111.51 35.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.38 96.07 7.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 . . . . . 0 C--O 1.248 0.984 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.068 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 m -85.43 113.5 21.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 104.143 -2.539 . . . . 0.0 104.143 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 21' ' ' ALA . 57.8 m-85 -92.98 164.28 13.35 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -133.96 146.5 50.52 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 124.71 1.204 . . . . 0.0 111.374 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -122.89 137.88 54.82 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 125.123 1.369 . . . . 0.0 108.294 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 mt -119.63 100.3 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.0 mt -79.05 107.49 11.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 104.2 -2.518 . . . . 0.0 104.2 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -111.34 74.94 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -97.77 147.14 18.51 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-O 121.783 0.657 . . . . 0.0 112.606 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -60.49 -27.13 67.33 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 124.99 1.316 . . . . 0.0 110.412 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -110.67 -45.74 3.47 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 124.502 1.121 . . . . 0.0 110.185 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 tp -135.3 127.8 30.59 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 119.714 1.143 . . . . 0.0 112.24 -178.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 156.78 24.49 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.231 1.413 . . . . 0.0 109.275 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.95 170.02 40.98 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 124.006 0.812 . . . . 0.0 111.847 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.61 139.86 49.26 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.43 1.492 . . . . 0.0 108.622 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 t -147.12 166.01 28.23 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.019 1.328 . . . . 0.0 108.362 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -141.44 150.45 42.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.515 1.126 . . . . 0.0 109.512 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.483 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 1.2 t -145.93 146.84 31.21 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -91.79 110.74 22.08 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 103.516 -2.772 . . . . 0.0 103.516 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB3' ' CD1' ' A' ' 4' ' ' TYR . . . -115.16 141.18 48.37 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -179.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.53 -34.65 69.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.093 0.957 . . . . 0.0 110.544 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -142.76 162.92 34.19 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.331 1.452 . . . . 0.0 107.77 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.27 -23.96 67.18 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 119.19 -0.433 . . . . 0.0 110.272 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.73 -50.92 54.83 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.435 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 4.6 m -58.66 -40.53 83.74 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.813 0.845 . . . . 0.0 109.11 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.94 -51.74 66.88 Favored 'General case' 0 C--N 1.343 0.314 0 O-C-N 123.664 0.602 . . . . 0.0 110.162 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -51.78 -47.73 64.09 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 125.125 1.37 . . . . 0.0 111.168 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 51.4 mtmt -65.77 -49.86 66.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 124.739 1.215 . . . . 0.0 111.178 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.81 -46.32 87.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.483 ' CZ ' HG22 ' A' ' 19' ' ' THR . 24.2 m-85 -62.81 -40.57 97.78 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 117.684 -1.15 . . . . 0.0 111.118 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 24.7 mttp -58.67 -48.88 79.57 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 119.999 1.272 . . . . 0.0 109.615 178.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -57.83 -42.02 83.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.45 -50.39 71.63 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 124.147 0.905 . . . . 0.0 111.215 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.34 77.83 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.201 -0.937 . . . . 0.0 111.981 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -31.4 69.95 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.543 0.737 . . . . 0.0 110.287 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.1 -31.39 72.23 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.844 0.858 . . . . 0.0 109.707 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -95.15 0.65 54.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.126 1.37 . . . . 0.0 111.379 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.14 26.63 52.08 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.713 1.149 . . . . 0.0 114.151 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 t -108.56 118.78 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 125.245 1.418 . . . . 0.0 108.472 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -152.49 84.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.04 -152.69 8.46 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 125.081 1.324 . . . . 0.0 111.563 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -82.39 107.55 15.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.527 1.131 . . . . 0.0 108.809 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 65.6 m95 -79.4 138.95 37.83 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.57 1.148 . . . . 0.0 109.062 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.7 p -125.34 -168.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 126.538 1.935 . . . . 0.0 107.768 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -165.09 145.1 7.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.428 1.491 . . . . 0.0 107.364 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -133.82 87.18 2.35 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -56.86 -35.39 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 123.122 0.569 . . . . 0.0 112.141 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.9 -29.63 12.53 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.856 1.662 . . . . 0.0 112.586 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 t -135.62 19.29 3.31 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.993 1.317 . . . . 0.0 109.2 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 34.42 59.48 0.63 Allowed 'General case' 0 C--N 1.347 0.467 0 C-N-CA 128.323 2.649 . . . . 0.0 110.93 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.7 m -126.82 150.62 49.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.659 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -124.01 152.25 42.79 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.071 -2.196 . . . . 0.0 105.071 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -131.65 138.8 48.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.16 107.03 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 103.865 -2.642 . . . . 0.0 103.865 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.35 97.47 9.86 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.756 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.242 0.684 0 N-CA-C 103.219 -2.882 . . . . 0.0 103.219 177.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.519 0 CA-C-O 121.634 0.574 . . . . 0.0 111.74 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 m -82.61 114.6 21.11 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -92.9 164.32 13.36 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 126.239 1.816 . . . . 0.0 106.81 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -133.57 146.86 51.39 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.453 1.101 . . . . 0.0 111.198 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.6 tp -124.87 141.78 51.89 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.8 mt -124.92 106.22 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 126.05 1.74 . . . . 0.0 107.048 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.3 mt -85.86 105.0 16.04 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -107.36 74.3 0.96 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.28 1.832 . . . . 0.0 106.413 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.67 155.41 18.35 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-O 123.265 1.48 . . . . 0.0 115.587 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -72.93 -13.36 61.24 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.919 1.688 . . . . 0.0 111.294 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.1 p -130.79 -35.11 1.46 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 119.259 0.936 . . . . 0.0 112.868 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -135.69 144.53 46.01 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -142.05 160.5 40.09 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.427 1.091 . . . . 0.0 108.538 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.38 169.28 33.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -130.6 152.01 50.44 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 120.918 -1.342 . . . . 0.0 108.441 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -151.21 165.01 35.27 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -134.16 146.23 49.99 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.39 151.55 38.45 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -101.24 117.72 35.54 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.06 153.63 46.58 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.814 0.816 . . . . 0.0 110.823 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.28 -41.17 86.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.458 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -145.09 161.8 38.57 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 125.417 1.487 . . . . 0.0 108.409 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.5 -33.93 68.54 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.424 0.69 . . . . 0.0 109.277 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.41 93.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.123 0.969 . . . . 0.0 110.867 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 m -75.26 -39.98 59.3 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.37 -44.81 80.53 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.79 -40.0 86.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.345 1.058 . . . . 0.0 111.21 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -66.11 -50.83 62.67 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.256 0.934 . . . . 0.0 109.576 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -57.53 -46.85 86.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.66 0.6 . . . . 0.0 109.473 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -66.13 -40.48 90.7 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 117.679 -1.153 . . . . 0.0 111.168 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.528 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.5 mttt -55.89 -48.46 75.56 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 120.167 1.349 . . . . 0.0 108.442 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.51 HE21 ' ND2' ' A' ' 36' ' ' ASN . 18.8 tp60 -63.31 -42.5 99.03 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.597 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.41 -45.53 93.27 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-O 121.672 0.749 . . . . 0.0 110.434 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.67 -49.32 69.02 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.16 -0.962 . . . . 0.0 110.717 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.51 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.46 -32.49 68.78 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.489 0.716 . . . . 0.0 109.633 178.711 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -66.02 -36.88 84.45 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -84.17 -4.65 58.95 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.336 1.054 . . . . 0.0 109.973 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.89 36.41 41.89 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 124.881 1.229 . . . . 0.0 112.105 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -114.54 125.23 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -156.34 104.59 2.23 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 177.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.433 ' H ' ' CG2' ' A' ' 55' ' ' VAL . . . -138.22 -155.12 6.69 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 124.843 1.211 . . . . 0.0 110.973 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -78.37 111.78 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.528 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 60.5 m95 -82.56 138.45 34.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.392 1.477 . . . . 0.0 110.048 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.3 p -129.71 172.29 11.77 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.616 1.966 . . . . 0.0 110.472 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -142.39 133.34 25.77 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 120.791 -1.193 . . . . 0.0 109.084 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -123.18 80.52 1.78 Allowed 'General case' 0 C--O 1.236 0.361 0 C-N-CA 127.578 2.351 . . . . 0.0 106.159 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -52.56 -32.86 43.05 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.93 1.292 . . . . 0.0 112.739 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.63 -29.8 11.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.404 2.282 . . . . 0.0 113.011 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.0 t -136.03 17.8 3.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.508 1.923 . . . . 0.0 107.092 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? 36.21 52.28 0.87 Allowed 'General case' 0 C--N 1.35 0.589 0 C-N-CA 128.586 2.754 . . . . 0.0 109.939 -178.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -113.01 157.33 21.66 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 113.881 -1.508 . . . . 0.0 109.596 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -128.34 145.5 51.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.392 2.277 . . . . 0.0 106.915 178.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.6 m -134.74 138.26 44.19 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.433 ' CG2' ' H ' ' A' ' 42' ' ' GLY . 4.1 p -119.92 112.98 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 178.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.06 96.05 6.98 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.873 0.368 . . . . 0.0 110.54 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 C--O 1.246 0.887 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 178.238 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.503 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -81.29 114.25 19.95 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -96.9 162.86 13.21 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.689 1.196 . . . . 0.0 107.808 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -137.22 147.86 46.1 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 123.968 0.907 . . . . 0.0 111.298 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.48 HD21 HD21 ' A' ' 8' ' ' LEU . 40.6 tp -129.69 129.87 44.79 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.8 mt -109.95 112.43 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.48 HD21 HD21 ' A' ' 6' ' ' LEU . 86.9 mt -91.71 109.08 20.39 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -110.66 75.09 0.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.482 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -89.86 152.92 22.7 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-O 121.796 0.664 . . . . 0.0 112.538 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -67.03 -22.25 65.89 Favored 'General case' 0 CA--C 1.518 -0.255 0 O-C-N 122.136 -0.626 . . . . 0.0 110.771 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.7 p -119.43 -33.72 4.01 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 117.488 -1.244 . . . . 0.0 111.549 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -135.84 143.13 44.94 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.781 1.173 . . . . 0.0 109.746 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.41 156.53 48.77 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.31 -178.41 44.2 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.406 1.003 . . . . 0.0 111.544 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -143.93 143.67 31.36 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 125.661 1.585 . . . . 0.0 109.093 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 t -147.86 167.49 24.66 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.792 1.237 . . . . 0.0 108.663 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.4 p -144.34 146.62 32.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.463 1.105 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.412 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 4.4 t -146.83 139.04 24.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.096 0.407 . . . . 0.0 110.596 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -89.85 105.88 18.1 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 103.016 -2.957 . . . . 0.0 103.016 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.3 156.25 21.81 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 123.384 0.674 . . . . 0.0 109.534 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.1 p -67.91 -40.77 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.023 0.929 . . . . 0.0 110.886 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.98 166.38 27.89 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.99 0.916 . . . . 0.0 108.691 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.48 -37.87 76.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.951 1.3 . . . . 0.0 111.694 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.15 -49.41 72.23 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.469 0.652 . . . . 0.0 109.531 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -43.11 96.04 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.949 0.9 . . . . 0.0 109.63 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.88 71.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.85 -44.13 77.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.567 1.547 . . . . 0.0 111.411 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.57 -47.23 82.36 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 121.484 -0.76 . . . . 0.0 109.934 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -60.36 -46.72 94.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CZ ' HG22 ' A' ' 19' ' ' THR . 13.6 m-85 -63.22 -40.81 98.52 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 117.334 -1.317 . . . . 0.0 111.232 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -59.36 -47.09 86.75 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.051 1.75 . . . . 0.0 109.923 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -59.46 -42.11 91.27 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -67.9 -48.96 64.57 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 124.032 0.933 . . . . 0.0 111.112 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.28 84.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.008 -1.057 . . . . 0.0 109.577 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -32.72 74.27 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -63.48 -26.24 68.63 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.151 0.581 . . . . 0.0 109.96 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -98.14 -2.73 39.29 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.989 1.316 . . . . 0.0 109.724 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.47 33.25 44.11 Favored Glycine 0 C--N 1.338 0.639 0 C-N-CA 126.336 1.922 . . . . 0.0 112.352 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.87 120.93 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 125.286 1.434 . . . . 0.0 107.256 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -149.64 102.4 3.16 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -139.69 -152.14 5.8 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 123.649 0.642 . . . . 0.0 112.245 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -82.88 114.94 21.53 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -86.14 140.05 30.55 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 122.808 0.443 . . . . 0.0 109.906 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.6 p -127.48 -178.84 4.62 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.706 1.602 . . . . 0.0 109.1 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -155.41 133.86 11.77 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.313 -0.867 . . . . 0.0 109.43 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -119.61 85.98 2.47 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 129.339 3.056 . . . . 0.0 106.731 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -52.87 -37.96 61.05 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.188 1.395 . . . . 0.0 112.021 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.19 -26.96 5.15 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.675 1.99 . . . . 0.0 113.517 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.2 t -135.18 11.02 3.55 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.961 1.704 . . . . 0.0 109.826 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.252 4.6 ptpp? 40.66 58.66 2.34 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.928 2.091 . . . . 0.0 109.312 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.3 m -129.43 140.58 51.27 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.835 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -108.41 152.08 25.16 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.2 m -132.97 136.16 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 178.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.9 p -120.79 111.06 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 m -102.54 104.62 15.04 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.482 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 16.5 tt0 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 125.624 1.57 . . . . 0.0 109.328 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 121.708 0.616 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -79.25 113.58 17.5 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -92.42 162.84 14.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -133.62 146.7 51.16 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 123.944 0.898 . . . . 0.0 111.251 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.46 HD21 HD21 ' A' ' 8' ' ' LEU . 60.6 tp -125.67 143.79 50.88 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.218 1.407 . . . . 0.0 108.652 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.6 mt -127.44 109.3 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 126.706 2.002 . . . . 0.0 106.847 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.46 HD21 HD21 ' A' ' 6' ' ' LEU . 90.9 mt -90.24 105.14 17.61 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -107.59 74.58 0.97 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 124.774 1.23 . . . . 0.0 108.353 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.41 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -97.38 152.02 19.9 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-O 123.186 1.437 . . . . 0.0 114.592 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -75.67 -9.63 58.75 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 126.183 1.793 . . . . 0.0 110.637 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.8 p -116.02 -49.3 2.71 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.775 1.23 . . . . 0.0 109.892 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.7 tp -136.69 158.86 43.46 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 125.546 1.538 . . . . 0.0 108.966 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.63 157.22 46.55 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.65 1.58 . . . . 0.0 107.435 176.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.18 177.16 46.51 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.57 1.081 . . . . 0.0 111.132 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -149.47 152.77 36.21 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.079 0.952 . . . . 0.0 109.759 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.1 t -156.85 171.61 20.1 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.508 1.123 . . . . 0.0 109.476 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 p -137.56 146.48 44.13 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.68 1.992 . . . . 0.0 108.051 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 t -145.79 151.74 38.42 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -99.92 119.33 38.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.61 144.58 51.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.369 0.604 . . . . 0.0 110.197 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.4 p -67.79 -41.42 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 114.509 -1.223 . . . . 0.0 112.16 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -139.88 163.23 33.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.572 1.149 . . . . 0.0 108.293 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.52 -37.28 67.7 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.584 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.89 75.72 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -58.29 -48.59 79.99 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.834 1.654 . . . . 0.0 109.26 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.35 -47.84 80.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.569 0.748 . . . . 0.0 110.742 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -61.26 -37.33 82.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.344 0.657 . . . . 0.0 111.619 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -70.91 -50.56 33.5 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.956 0.798 . . . . 0.0 110.315 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.6 t -55.93 -46.98 80.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 O-C-N 123.934 0.772 . . . . 0.0 109.217 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -67.93 -40.29 83.34 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 117.24 -1.362 . . . . 0.0 110.963 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -56.33 -48.31 77.0 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 120.564 1.529 . . . . 0.0 109.188 178.17 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.428 HE21 ' ND2' ' A' ' 36' ' ' ASN . 10.9 tp60 -61.64 -42.27 98.66 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -61.35 -47.46 85.79 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.373 0.606 . . . . 0.0 110.039 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.5 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.016 -1.053 . . . . 0.0 110.886 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.428 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.31 -33.34 70.99 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.639 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -67.89 -28.55 67.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.431 0.692 . . . . 0.0 109.447 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -91.43 -2.33 57.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.535 1.134 . . . . 0.0 109.166 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.35 38.56 70.76 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 125.135 1.35 . . . . 0.0 111.258 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.39 122.92 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -152.09 102.77 2.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.29 -153.98 6.08 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 124.358 0.98 . . . . 0.0 111.196 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -76.26 111.63 11.9 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.295 0.638 . . . . 0.0 109.695 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.492 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.2 m95 -82.71 132.37 35.18 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.3 p -127.49 169.23 13.9 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 128.028 2.531 . . . . 0.0 108.96 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.405 ' CZ ' ' HA ' ' A' ' 48' ' ' ASP . 56.5 t80 -143.74 144.45 31.83 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.352 1.061 . . . . 0.0 109.039 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.62 87.33 2.61 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.448 2.299 . . . . 0.0 105.31 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.405 ' HA ' ' CZ ' ' A' ' 46' ' ' TYR . 23.2 t70 -53.99 -34.76 60.73 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.951 1.301 . . . . 0.0 113.119 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.58 -25.6 39.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.317 2.247 . . . . 0.0 114.144 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -136.38 14.95 3.22 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.338 1.855 . . . . 0.0 108.619 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt 37.05 50.77 0.94 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 127.434 2.293 . . . . 0.0 110.029 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.4 m -116.42 157.22 25.46 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.708 1.203 . . . . 0.0 109.993 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -127.81 146.67 50.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 127.036 2.134 . . . . 0.0 108.155 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.7 m -135.51 128.17 30.88 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -109.64 109.85 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 98.03 9.22 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.059 0.544 . . . . 0.0 110.406 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.41 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 5.1 tt0 . . . . . 0 C--O 1.248 1.003 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.496 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 m -81.09 117.16 21.43 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -96.09 164.24 12.78 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 126.993 2.117 . . . . 0.0 107.046 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.59 146.64 49.79 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.189 0.996 . . . . 0.0 111.118 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.403 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 31.2 tp -122.06 138.1 54.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -119.2 109.0 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 126.276 1.83 . . . . 0.0 106.301 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.9 mt -87.41 105.18 17.1 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 104.913 -2.255 . . . . 0.0 104.913 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -108.4 74.47 0.93 Allowed 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.785 1.634 . . . . 0.0 107.521 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.86 156.96 19.27 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-O 123.465 1.592 . . . . 0.0 114.742 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -73.69 -18.99 60.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 113.677 -1.261 . . . . 0.0 111.458 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.8 p -122.09 -40.77 2.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.94 1.696 . . . . 0.0 113.572 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 38' ' ' ASN . 8.3 tt -132.59 139.01 47.61 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -178.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -135.1 161.05 36.43 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.441 1.096 . . . . 0.0 108.822 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.82 -178.63 45.63 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -145.0 146.11 31.78 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.3 t -149.48 161.07 42.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 p -131.83 147.75 52.5 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.411 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 1.3 t -145.75 151.4 37.92 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -101.29 109.07 20.87 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.64 147.82 40.38 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.509 0.671 . . . . 0.0 109.933 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 m -67.73 -39.54 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.75 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.7 p30 -145.9 174.01 11.63 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 126.447 1.899 . . . . 0.0 108.861 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.86 76.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.082 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.79 -50.62 71.6 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 118.616 -0.707 . . . . 0.0 112.461 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.2 m -62.64 -44.54 96.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.11 70.71 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.673 0.669 . . . . 0.0 110.501 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.83 -45.88 82.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.361 1.064 . . . . 0.0 111.74 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -66.48 -50.2 64.1 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.267 0.627 . . . . 0.0 110.509 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -55.82 -48.58 78.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.411 ' CZ ' HG22 ' A' ' 19' ' ' THR . 16.2 m-85 -62.81 -43.57 98.45 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.787 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -54.47 -49.99 68.8 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 119.107 0.867 . . . . 0.0 110.052 179.045 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.474 HE21 ' ND2' ' A' ' 36' ' ' ASN . 18.1 tp60 -62.61 -41.86 99.23 Favored 'General case' 0 N--CA 1.436 -1.129 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -60.71 -46.06 91.84 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.323 0.582 . . . . 0.0 110.788 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.54 -48.65 71.75 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.225 -0.922 . . . . 0.0 110.684 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.474 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.27 -32.56 68.51 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.193 0.597 . . . . 0.0 109.469 178.738 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -67.61 -32.83 73.83 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.406 ' HB3' HD22 ' A' ' 13' ' ' LEU . 24.8 m-80 -85.26 -2.4 58.01 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.761 0.825 . . . . 0.0 109.208 177.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.36 20.79 74.3 Favored Glycine 0 C--N 1.338 0.669 0 C-N-CA 125.875 1.702 . . . . 0.0 112.841 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -97.87 122.52 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -151.17 103.28 3.01 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.72 -155.07 6.34 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 124.525 1.059 . . . . 0.0 111.368 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -79.23 112.12 16.14 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.563 1.145 . . . . 0.0 108.704 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.52 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 58.9 m95 -86.71 132.58 33.83 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.237 1.415 . . . . 0.0 110.635 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.1 p -124.22 176.02 6.68 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.945 2.098 . . . . 0.0 110.888 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -144.99 134.66 23.39 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 121.226 -0.921 . . . . 0.0 109.6 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -122.57 83.34 2.1 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 127.563 2.345 . . . . 0.0 105.701 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -55.48 -33.43 63.68 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.666 0.787 . . . . 0.0 112.178 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.23 -28.28 7.37 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.494 1.917 . . . . 0.0 113.41 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 t -135.49 17.09 3.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.774 1.63 . . . . 0.0 108.366 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? 38.45 55.49 1.84 Allowed 'General case' 0 C--N 1.345 0.413 0 C-N-CA 127.748 2.419 . . . . 0.0 109.726 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.6 m -118.8 156.75 28.86 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 113.924 -1.489 . . . . 0.0 109.783 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -127.01 142.29 51.58 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 128.025 2.53 . . . . 0.0 106.55 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 m -132.04 136.49 47.27 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -117.79 113.41 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.68 99.41 9.67 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.051 0 C-N-CA 125.126 1.37 . . . . 0.0 109.205 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.95 -179.07 17.67 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 126.397 1.951 . . . . 0.0 109.822 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -100.07 120.47 39.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -99.42 159.01 15.33 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 124.445 1.098 . . . . 0.0 108.164 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -132.71 145.44 51.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.273 1.029 . . . . 0.0 108.45 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.3 tp -122.15 138.42 54.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.9 mt -121.27 105.8 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.9 mt -85.3 105.09 15.71 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -107.52 73.91 0.94 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.412 1.485 . . . . 0.0 108.617 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -97.0 152.93 20.2 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-O 123.036 1.353 . . . . 0.0 115.09 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' H ' ' HB3' ' A' ' 57' ' ' GLU . 22.4 mmmt -69.87 -25.0 63.51 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.465 1.106 . . . . 0.0 109.477 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.8 p -109.29 -49.36 3.13 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 124.157 0.983 . . . . 0.0 112.639 -176.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 tt -135.25 148.16 49.5 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 125.02 1.328 . . . . 0.0 108.791 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -135.39 161.61 34.94 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 125.957 1.703 . . . . 0.0 109.906 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.46 -179.03 48.9 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.809 0.719 . . . . 0.0 111.589 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -147.07 149.8 33.79 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.179 0.991 . . . . 0.0 109.609 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 t -150.94 164.27 36.75 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.539 1.536 . . . . 0.0 108.134 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 p -140.35 139.87 35.46 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.669 1.587 . . . . 0.0 108.348 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 t -146.59 151.48 37.38 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -93.82 112.09 23.89 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.9 145.38 44.68 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.761 0.791 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.0 m -67.27 -32.38 57.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.145 1.378 . . . . 0.0 113.108 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -153.02 167.62 28.59 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.603 1.961 . . . . 0.0 108.15 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.82 73.0 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.657 0.783 . . . . 0.0 112.361 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.96 -47.96 70.02 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 119.13 0.877 . . . . 0.0 109.47 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 m -59.03 -44.43 91.74 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.78 -51.09 71.46 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.682 0.277 . . . . 0.0 111.112 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.06 -38.76 90.01 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.683 1.193 . . . . 0.0 111.474 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -68.46 -49.6 58.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.279 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.9 t -56.1 -50.64 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -63.89 -40.89 97.57 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 117.118 -1.42 . . . . 0.0 111.639 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.503 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.4 mttt -56.55 -49.49 74.68 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 120.673 1.579 . . . . 0.0 109.371 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -59.58 -44.05 93.46 Favored 'General case' 0 N--CA 1.434 -1.236 0 C-N-CA 123.722 0.809 . . . . 0.0 109.078 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -64.47 -45.31 87.95 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.453 0.644 . . . . 0.0 112.102 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.86 75.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 120.833 -1.167 . . . . 0.0 110.452 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -32.03 69.24 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.181 0.592 . . . . 0.0 109.68 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -67.13 -38.61 85.87 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -79.25 -4.83 52.54 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.694 0.798 . . . . 0.0 109.305 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.25 31.07 53.35 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 125.802 1.667 . . . . 0.0 111.716 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.1 t -109.86 123.85 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -152.44 104.18 2.9 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.48 -157.0 6.99 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 125.268 1.413 . . . . 0.0 111.247 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -74.31 113.33 11.41 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.503 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.2 m95 -85.48 132.69 34.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.49 0.716 . . . . 0.0 109.399 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -126.58 171.88 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 127.519 2.328 . . . . 0.0 109.365 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -146.79 149.38 33.24 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 124.208 1.003 . . . . 0.0 108.79 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.95 91.28 2.68 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 127.055 2.142 . . . . 0.0 105.386 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.38 -28.76 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.758 0.823 . . . . 0.0 111.481 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.45 -34.43 24.71 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 126.81 2.044 . . . . 0.0 112.124 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.6 t -136.16 13.96 3.3 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.152 0.581 . . . . 0.0 110.548 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttp 50.05 62.29 2.74 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 128.263 2.625 . . . . 0.0 111.682 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.9 m -129.12 154.43 46.72 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.247 0.619 . . . . 0.0 111.212 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -125.36 144.1 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 126.666 1.986 . . . . 0.0 106.988 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 m -134.92 127.43 30.62 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.9 p -110.37 113.1 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.15 95.95 6.89 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.083 0.553 . . . . 0.0 110.409 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 3.6 tt0 . . . . . 0 C--O 1.245 0.863 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 12.2 ttt . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.39 -171.92 20.97 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 124.923 1.249 . . . . 0.0 110.995 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.4 m -77.28 135.84 38.46 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.629 0.772 . . . . 0.0 110.042 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -122.38 157.07 32.66 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 126.649 1.98 . . . . 0.0 106.738 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -134.29 146.86 50.42 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 124.837 1.255 . . . . 0.0 111.274 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.454 HD21 HD21 ' A' ' 8' ' ' LEU . 60.4 tp -124.64 134.08 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mt -116.39 107.55 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.454 HD21 HD21 ' A' ' 6' ' ' LEU . 70.2 mt -87.07 106.84 18.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -105.26 74.67 1.11 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.422 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -90.86 147.98 19.21 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.391 -1.083 . . . . 0.0 110.391 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -72.55 -14.63 61.68 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.569 -0.959 . . . . 0.0 110.254 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -48.64 3.07 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.194 2.197 . . . . 0.0 110.098 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.7 tp -135.68 144.35 45.94 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.001 1.273 . . . . 0.0 110.444 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HE3' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -131.15 148.55 52.73 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.525 0.73 . . . . 0.0 109.772 179.323 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.57 179.42 42.06 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 123.53 0.586 . . . . 0.0 113.332 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -142.63 136.31 29.0 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 124.428 1.091 . . . . 0.0 111.169 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -139.42 165.04 28.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.458 1.503 . . . . 0.0 109.458 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.5 p -144.17 145.25 31.97 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.423 1.089 . . . . 0.0 110.075 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -146.94 152.38 38.55 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.716 1.206 . . . . 0.0 109.204 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -95.12 117.05 29.54 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -120.98 154.43 36.01 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 123.285 0.634 . . . . 0.0 110.668 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.28 -39.11 80.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 124.134 0.974 . . . . 0.0 110.885 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -148.17 163.89 35.59 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.72 70.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 118.959 -0.543 . . . . 0.0 110.785 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.28 -48.23 76.5 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.414 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -61.85 -41.7 98.13 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 126.46 1.904 . . . . 0.0 108.584 178.782 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.65 69.59 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.17 -42.53 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 126.697 1.999 . . . . 0.0 109.587 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 36.6 mtmt -66.68 -48.65 68.66 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 121.019 -1.05 . . . . 0.0 110.663 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.6 t -60.78 -50.89 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -59.55 -38.73 81.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.027 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -58.27 -47.94 82.03 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 120.432 1.469 . . . . 0.0 109.669 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -59.49 -42.02 91.16 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -68.8 -45.99 69.83 Favored 'General case' 0 C--O 1.226 -0.158 0 O-C-N 123.743 0.652 . . . . 0.0 112.157 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.72 89.56 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 120.888 -1.133 . . . . 0.0 108.98 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -31.6 72.61 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.05 -29.2 70.63 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.465 0.575 . . . . 0.0 109.883 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -94.92 -0.9 53.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.075 1.35 . . . . 0.0 110.087 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.35 27.87 58.86 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 126.515 2.007 . . . . 0.0 112.696 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 t -105.41 119.12 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 125.207 1.403 . . . . 0.0 108.558 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -148.52 101.58 3.24 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -140.64 -148.13 5.08 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 124.18 0.895 . . . . 0.0 113.009 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -86.2 112.92 21.8 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -87.83 134.27 33.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.333 1.053 . . . . 0.0 111.784 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.0 p -123.26 169.55 11.18 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.681 1.992 . . . . 0.0 109.44 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -147.31 121.53 9.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.902 1.228 . . . . 0.0 111.463 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -106.7 84.67 2.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.89 2.876 . . . . 0.0 105.35 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -53.76 -36.37 62.28 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.551 1.14 . . . . 0.0 113.085 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.72 -37.58 63.46 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.916 0.886 . . . . 0.0 112.763 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.6 t -111.81 -1.65 15.51 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.478 1.111 . . . . 0.0 111.633 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt 54.71 55.18 8.18 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 126.123 1.769 . . . . 0.0 106.885 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.1 m -130.07 144.25 51.24 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.064 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -115.68 149.2 38.76 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 176.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.9 m -131.59 132.56 44.18 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 p -116.44 111.74 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 m -100.13 101.29 12.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 52.0 tt0 . . . . . 0 C--O 1.246 0.87 0 C-N-CA 127.029 2.131 . . . . 0.0 110.694 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.551 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 10.8 ttt . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 114.0 175.88 19.03 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 126.091 1.805 . . . . 0.0 109.771 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -77.96 115.78 17.95 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -99.61 157.45 16.45 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 105.28 -2.119 . . . . 0.0 105.28 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -130.88 146.98 52.47 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 124.856 1.262 . . . . 0.0 110.215 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.7 tp -122.65 139.28 54.12 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 124.691 1.196 . . . . 0.0 108.559 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.9 mt -119.04 109.91 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 105.013 -2.217 . . . . 0.0 105.013 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -88.45 107.5 18.9 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -115.73 73.1 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.441 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -90.13 158.63 26.96 Favored Glycine 0 C--N 1.334 0.443 0 O-C-N 120.322 -1.486 . . . . 0.0 112.049 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' H ' ' HB3' ' A' ' 57' ' ' GLU . 26.7 mmmt -61.17 -28.31 69.03 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.697 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.8 p -115.57 -36.33 4.29 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 116.914 -1.517 . . . . 0.0 110.922 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.4 tp -128.39 131.56 48.5 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 121.26 1.846 . . . . 0.0 112.941 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.52 150.4 44.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.122 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.76 -176.15 44.68 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 125.388 1.47 . . . . 0.0 110.194 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -145.79 150.98 37.2 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 124.841 1.256 . . . . 0.0 108.603 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -152.25 166.37 31.99 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.951 0.901 . . . . 0.0 109.008 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.9 p -139.82 148.04 41.6 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.903 0.881 . . . . 0.0 109.869 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.495 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 1.3 t -146.19 143.25 29.15 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -97.18 105.35 17.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 102.423 -3.177 . . . . 0.0 102.423 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -110.39 156.66 20.49 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.944 0.778 . . . . 0.0 109.819 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -68.03 -37.52 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 123.246 0.618 . . . . 0.0 111.515 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.96 168.41 24.65 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.21 1.004 . . . . 0.0 108.843 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.05 -25.2 67.72 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 116.735 -1.602 . . . . 0.0 111.79 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.36 -50.52 45.44 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 121.13 1.786 . . . . 0.0 107.066 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.411 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 74.3 m -57.25 -43.92 83.42 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 121.192 -0.942 . . . . 0.0 108.906 178.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.28 -51.65 68.03 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.346 0.658 . . . . 0.0 110.439 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.88 -44.71 67.06 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 125.858 1.663 . . . . 0.0 110.913 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 57.5 mtmt -67.54 -49.08 65.0 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.524 1.129 . . . . 0.0 110.232 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t -56.72 -49.06 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CZ ' HG22 ' A' ' 19' ' ' THR . 26.0 m-85 -61.23 -42.57 98.84 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.943 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.483 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 5.0 mttt -56.1 -51.36 68.18 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 119.582 1.083 . . . . 0.0 109.695 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -59.26 -42.41 91.12 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-O 118.35 -0.833 . . . . 0.0 108.92 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -67.15 -44.03 80.84 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 124.085 0.866 . . . . 0.0 112.457 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.38 75.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 120.605 -1.309 . . . . 0.0 110.96 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -28.76 70.2 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 123.368 0.418 . . . . 0.0 110.323 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.41 -40.25 96.7 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -82.63 -1.54 51.3 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.47 1.108 . . . . 0.0 110.651 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.21 24.76 58.75 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 125.809 1.671 . . . . 0.0 113.95 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -107.08 118.46 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 125.662 1.585 . . . . 0.0 109.705 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -154.38 93.07 1.56 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.493 ' H ' ' CG2' ' A' ' 55' ' ' VAL . . . -117.74 -140.24 6.49 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 124.567 1.08 . . . . 0.0 111.297 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -89.66 114.34 25.95 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.483 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 53.9 m95 -86.0 134.05 33.88 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.797 0.439 . . . . 0.0 110.347 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.1 p -126.13 176.64 6.9 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.855 1.662 . . . . 0.0 108.636 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -157.69 129.95 7.18 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.565 -1.334 . . . . 0.0 110.076 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -113.62 78.0 1.1 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -52.54 -34.54 50.58 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.148 0.979 . . . . 0.0 111.586 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.67 -33.41 22.49 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 126.425 1.89 . . . . 0.0 112.091 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 t -127.77 12.81 6.84 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.225 1.41 . . . . 0.0 110.812 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp 51.74 39.1 24.7 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 126.469 1.908 . . . . 0.0 113.287 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -116.76 130.08 56.5 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -101.58 152.13 21.16 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 105.056 -2.201 . . . . 0.0 105.056 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.1 m -135.81 116.25 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 120.529 -1.357 . . . . 0.0 108.304 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.493 ' CG2' ' H ' ' A' ' 42' ' ' GLY . 4.8 p -100.92 108.3 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.3 m -107.8 104.71 14.27 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.441 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 1.8 tt0 . . . . . 0 C--O 1.255 1.375 0 N-CA-C 104.895 -2.261 . . . . 0.0 104.895 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.407 ' CG ' ' H ' ' A' ' 2' ' ' GLY . 5.5 ttt . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.407 ' H ' ' CG ' ' A' ' 1' ' ' MET . . . 131.94 174.23 13.57 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 127.032 2.253 . . . . 0.0 112.2 179.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 m -90.2 122.42 33.12 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -106.38 159.19 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 125.803 1.641 . . . . 0.0 108.718 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -130.57 146.18 52.03 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.299 1.44 . . . . 0.0 109.846 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.401 HD21 HD21 ' A' ' 8' ' ' LEU . 41.5 tp -123.44 136.45 54.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt -121.28 104.63 15.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.401 HD21 HD21 ' A' ' 6' ' ' LEU . 96.9 mt -83.38 105.33 14.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -107.5 74.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.444 1.098 . . . . 0.0 108.629 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 57' ' ' GLU . . . -94.93 154.62 21.26 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-O 122.152 0.862 . . . . 0.0 113.448 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -70.3 -20.77 63.0 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.01 -0.595 . . . . 0.0 111.138 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.7 p -112.48 -43.44 3.49 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.486 1.115 . . . . 0.0 111.967 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 tp -134.25 152.46 51.83 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.213 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.38 157.23 46.23 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.32 1.448 . . . . 0.0 107.844 177.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.03 166.61 39.21 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.055 0.836 . . . . 0.0 111.502 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -132.6 146.75 52.14 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 121.069 -1.254 . . . . 0.0 107.678 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 t -153.64 157.86 40.25 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.455 1.102 . . . . 0.0 108.238 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 p -130.82 143.58 50.84 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.065 1.346 . . . . 0.0 107.556 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.24 151.72 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -97.66 126.12 42.81 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.28 146.39 50.76 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.85 -36.96 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.731 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -148.55 164.3 34.64 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 126.017 1.727 . . . . 0.0 107.74 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.39 -33.87 68.28 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.186 1.394 . . . . 0.0 110.953 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.64 -50.39 73.69 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.611 0.641 . . . . 0.0 109.862 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.423 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 84.7 m -60.76 -44.77 96.32 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.953 1.301 . . . . 0.0 109.458 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.53 -51.09 71.33 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -61.63 -36.98 82.31 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.694 1.197 . . . . 0.0 111.207 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 49.3 mtmt -69.25 -50.21 49.21 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 119.196 0.907 . . . . 0.0 109.524 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.25 -49.21 80.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -63.21 -41.68 99.17 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 117.629 -1.177 . . . . 0.0 111.025 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.514 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.8 mttt -57.06 -48.82 77.64 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 120.562 1.528 . . . . 0.0 108.986 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.532 HE21 ' ND2' ' A' ' 36' ' ' ASN . 8.6 tp60 -62.9 -41.23 99.37 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.244 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -62.08 -45.98 91.12 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.849 0.833 . . . . 0.0 110.661 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.9 73.42 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 120.949 -1.094 . . . . 0.0 109.508 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.532 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.96 -31.68 70.1 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 119.217 -0.42 . . . . 0.0 110.119 178.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -64.77 -38.42 90.92 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -82.76 -4.45 57.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.884 1.674 . . . . 0.0 110.117 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.31 43.43 38.53 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 125.171 1.367 . . . . 0.0 110.695 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -124.44 120.62 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 125.08 1.352 . . . . 0.0 108.041 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -159.41 97.73 1.36 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.8 -138.9 3.99 Favored Glycine 0 C--O 1.224 -0.479 0 O-C-N 124.337 1.023 . . . . 0.0 111.773 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -82.92 110.99 18.39 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.679 0.792 . . . . 0.0 109.85 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.514 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 66.2 m95 -87.7 134.59 33.63 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.557 1.543 . . . . 0.0 110.865 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.1 p -127.03 172.29 10.62 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.877 2.071 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -144.61 143.85 30.98 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 119.847 1.203 . . . . 0.0 108.935 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.35 90.23 2.65 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 126.476 1.91 . . . . 0.0 106.295 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.27 -35.68 67.72 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.934 0.893 . . . . 0.0 112.089 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.53 -27.46 6.72 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.29 1.836 . . . . 0.0 112.963 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.9 t -135.5 16.39 3.39 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.682 1.593 . . . . 0.0 109.743 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt 38.68 50.29 1.59 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 127.651 2.38 . . . . 0.0 110.275 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -116.79 157.84 24.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.818 0.847 . . . . 0.0 110.595 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -129.34 143.16 50.74 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 127.572 2.349 . . . . 0.0 106.097 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.3 m -134.07 135.29 43.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.3 p -118.91 111.12 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.93 98.24 10.91 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 1.6 tm-20 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 124.843 1.257 . . . . 0.0 109.797 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.11 173.2 13.21 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 125.768 1.652 . . . . 0.0 110.574 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -85.75 127.6 34.57 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -111.8 158.28 19.57 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.492 1.117 . . . . 0.0 108.148 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -131.56 146.02 52.01 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.278 1.431 . . . . 0.0 109.712 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.484 HD21 HD21 ' A' ' 8' ' ' LEU . 39.8 tp -122.15 137.67 54.74 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.2 mt -122.63 104.78 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 126.469 1.907 . . . . 0.0 106.137 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.484 HD21 HD21 ' A' ' 6' ' ' LEU . 96.4 mt -83.76 105.37 14.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -106.61 75.04 1.04 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.475 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -94.47 161.9 24.28 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-O 123.42 1.567 . . . . 0.0 116.384 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -70.11 -25.57 63.56 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 125.54 1.536 . . . . 0.0 110.718 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -114.69 -39.35 3.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 119.045 -0.502 . . . . 0.0 112.224 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -135.72 158.74 43.65 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.57 150.84 45.53 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.45 175.03 41.28 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.17 152.41 39.2 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.571 0.748 . . . . 0.0 109.047 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -157.54 159.78 37.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.328 1.051 . . . . 0.0 108.743 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.94 142.44 50.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.19 1.396 . . . . 0.0 108.963 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.449 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 4.0 t -145.53 144.01 30.29 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -87.72 117.66 26.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 104.286 -2.487 . . . . 0.0 104.286 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.09 147.41 47.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 118.547 0.612 . . . . 0.0 110.277 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.2 -30.28 48.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.757 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -154.56 162.63 41.05 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 125.338 1.455 . . . . 0.0 108.066 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.67 -29.02 66.26 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 124.011 0.925 . . . . 0.0 110.716 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.32 70.01 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.342 0.591 . . . . 0.0 109.883 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.494 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 9.5 m -60.11 -44.75 94.62 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.81 -50.55 73.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -58.84 -40.8 85.33 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.104 0.562 . . . . 0.0 112.035 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.494 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 7.9 mtmp? -67.42 -48.91 65.91 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.242 0.928 . . . . 0.0 109.785 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.87 -49.09 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.449 ' CZ ' HG22 ' A' ' 19' ' ' THR . 16.9 m-30 -63.62 -41.65 98.27 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 117.556 -1.212 . . . . 0.0 110.663 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -56.34 -48.55 76.53 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 120.647 1.567 . . . . 0.0 108.745 178.057 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.516 HE21 ' ND2' ' A' ' 36' ' ' ASN . 13.2 tp60 -62.78 -41.92 99.47 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.14 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -63.75 -43.76 95.49 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 118.442 0.564 . . . . 0.0 111.442 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.67 72.24 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.036 -1.04 . . . . 0.0 109.383 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.516 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.89 -32.45 69.53 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.6 0.562 . . . . 0.0 109.623 178.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -65.97 -36.51 83.51 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.479 -0.763 . . . . 0.0 109.203 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -83.76 -3.34 57.74 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.565 1.146 . . . . 0.0 109.888 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.77 42.3 46.74 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 125.002 1.287 . . . . 0.0 111.087 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -117.41 123.07 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -152.69 97.13 2.2 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.43 -152.78 5.8 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 124.861 1.22 . . . . 0.0 112.141 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.15 112.13 13.49 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.915 0.886 . . . . 0.0 109.953 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.501 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 61.4 m95 -85.4 133.54 34.12 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.522 1.129 . . . . 0.0 110.031 179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.6 p -124.73 176.71 6.4 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.754 2.022 . . . . 0.0 110.908 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -148.08 146.72 28.95 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 120.428 -1.42 . . . . 0.0 109.42 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -138.07 86.23 2.16 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.586 1.954 . . . . 0.0 107.782 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.05 -27.71 67.17 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.542 -1.349 . . . . 0.0 111.574 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.91 -29.36 11.84 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.92 1.688 . . . . 0.0 113.224 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -135.76 11.64 3.41 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.896 2.079 . . . . 0.0 108.843 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 45.05 51.33 8.93 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 127.283 2.233 . . . . 0.0 109.007 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.8 m -115.37 158.03 23.03 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.341 1.056 . . . . 0.0 110.074 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -131.04 145.31 51.99 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 128.411 2.684 . . . . 0.0 106.463 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 m -134.88 137.59 43.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 p -119.84 110.67 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.46 98.02 10.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 122.662 0.385 . . . . 0.0 110.55 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.475 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 5.1 tt0 . . . . . 0 C--O 1.254 1.335 0 N-CA-C 104.631 -2.359 . . . . 0.0 104.631 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.08 171.85 12.83 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 126.25 1.881 . . . . 0.0 110.606 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -79.98 125.01 29.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -107.05 159.93 15.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.274 1.83 . . . . 0.0 107.216 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -131.27 145.63 51.97 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.992 1.317 . . . . 0.0 109.997 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.485 HD21 HD21 ' A' ' 8' ' ' LEU . 38.8 tp -124.88 134.48 52.68 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 177.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -119.06 107.54 21.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.485 HD21 HD21 ' A' ' 6' ' ' LEU . 92.4 mt -85.43 104.44 15.23 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -103.15 73.94 1.26 Allowed 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.9 152.62 20.83 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 124.106 1.948 . . . . 0.0 115.262 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -78.68 -14.31 59.36 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 126.102 1.761 . . . . 0.0 109.001 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.6 p -104.04 -60.92 1.51 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.293 2.237 . . . . 0.0 109.909 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.405 HD12 ' H ' ' A' ' 14' ' ' LYS . 44.6 tp -136.55 159.25 42.37 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.519 1.928 . . . . 0.0 107.696 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.405 ' H ' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -133.15 156.87 46.67 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.621 1.168 . . . . 0.0 108.319 177.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.42 175.89 42.95 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.816 -0.513 . . . . 0.0 111.816 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -146.19 149.51 34.09 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.232 1.013 . . . . 0.0 108.72 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -153.11 158.63 42.15 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.578 1.551 . . . . 0.0 107.989 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p -132.45 138.0 47.45 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.27 152.9 39.92 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -99.48 127.12 45.52 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.8 148.63 52.57 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.55 0.74 . . . . 0.0 110.129 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.3 p -68.26 -38.56 79.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 123.428 0.691 . . . . 0.0 111.933 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -148.61 169.44 20.33 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.363 1.865 . . . . 0.0 108.989 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -19.04 65.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.574 0.75 . . . . 0.0 112.009 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.94 -50.38 16.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.8 m -60.67 -41.51 95.2 Favored 'General case' 0 C--N 1.34 0.153 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.54 -50.88 72.15 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -63.86 -37.32 86.96 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.46 0.475 . . . . 0.0 111.75 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -66.71 -50.09 63.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.024 0.829 . . . . 0.0 109.164 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.1 t -58.04 -50.55 77.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -63.13 -39.31 94.31 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 117.307 -1.33 . . . . 0.0 111.441 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 4.8 mttt -56.71 -47.86 79.0 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 120.325 1.42 . . . . 0.0 109.322 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.506 HE21 ' ND2' ' A' ' 36' ' ' ASN . 14.4 tp60 -62.02 -42.79 99.55 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -61.47 -44.87 96.32 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 121.665 0.745 . . . . 0.0 110.667 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.86 -48.4 71.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 120.383 -1.448 . . . . 0.0 111.012 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.506 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.47 -29.03 65.89 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.747 0.819 . . . . 0.0 109.903 178.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.6 -43.36 80.67 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -79.29 -5.84 55.35 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.369 1.067 . . . . 0.0 110.892 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.09 29.35 46.46 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 125.182 1.372 . . . . 0.0 112.45 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.2 t -107.2 122.49 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -151.57 99.99 2.66 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.14 -155.15 6.35 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 125.265 1.412 . . . . 0.0 111.963 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -76.98 113.08 14.29 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.38 1.072 . . . . 0.0 109.236 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.47 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 68.9 m95 -86.94 133.64 33.58 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.217 1.407 . . . . 0.0 111.516 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.9 p -125.55 175.5 7.5 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.774 2.43 . . . . 0.0 111.362 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -148.0 145.49 28.55 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 120.209 -1.557 . . . . 0.0 109.211 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.77 87.11 2.29 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 127.328 2.251 . . . . 0.0 105.172 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -57.0 -32.57 66.25 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.987 0.915 . . . . 0.0 113.086 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.05 -26.94 17.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.402 1.881 . . . . 0.0 112.021 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.7 t -135.48 15.94 3.41 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.774 1.23 . . . . 0.0 109.59 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttm 42.85 47.45 4.8 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 126.097 1.759 . . . . 0.0 111.017 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.9 m -114.9 154.13 29.24 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.364 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -129.27 142.92 50.71 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 127.492 2.317 . . . . 0.0 104.914 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.2 m -134.84 137.26 43.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -119.37 112.32 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 123.716 0.807 . . . . 0.0 108.833 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.2 96.71 10.18 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.622 1.169 . . . . 0.0 109.422 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.244 0.807 0 C-N-CA 125.188 1.395 . . . . 0.0 111.045 179.502 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.471 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 12.2 ttt . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 121.347 0.594 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.18 -179.12 16.91 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 124.576 1.084 . . . . 0.0 111.06 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m -80.65 113.97 19.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -97.89 159.21 15.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -131.88 147.03 52.45 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 124.74 1.216 . . . . 0.0 109.996 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -122.18 143.75 49.38 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.177 1.391 . . . . 0.0 107.374 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.8 mt -124.57 113.02 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.9 mt -92.42 106.92 18.82 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -113.29 73.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.1 156.87 20.95 Favored Glycine 0 C--N 1.333 0.406 0 O-C-N 120.64 -1.288 . . . . 0.0 112.759 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -68.76 -11.6 60.5 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 121.805 -0.821 . . . . 0.0 111.056 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.9 p -132.57 -39.59 1.0 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.188 1.395 . . . . 0.0 111.615 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -124.83 131.92 53.39 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 120.064 1.302 . . . . 0.0 110.064 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -133.39 160.88 36.06 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.374 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.15 -171.1 42.9 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -147.86 149.99 33.3 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.617 1.567 . . . . 0.0 107.301 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 t -152.18 166.41 31.8 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -139.78 149.19 43.25 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 121.645 -0.659 . . . . 0.0 110.172 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.528 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 1.6 t -145.99 149.45 34.18 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -101.24 105.66 16.79 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -108.37 156.4 19.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.326 1.05 . . . . 0.0 110.169 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -74.27 -39.08 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 123.15 0.58 . . . . 0.0 110.568 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -140.46 164.12 31.0 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 124.318 1.047 . . . . 0.0 108.604 -178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -25.23 68.01 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.131 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.63 -50.13 59.55 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.311 0.96 . . . . 0.0 108.88 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -58.72 -41.2 85.82 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 121.585 -0.697 . . . . 0.0 109.333 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.67 -51.46 67.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.589 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.03 -45.45 75.18 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.246 1.018 . . . . 0.0 111.174 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -65.84 -47.91 73.38 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.377 0.671 . . . . 0.0 110.484 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.5 -47.61 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.528 ' CZ ' HG22 ' A' ' 19' ' ' THR . 25.1 m-85 -62.05 -40.25 95.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.209 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 38.2 mttt -56.91 -48.25 78.66 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.182 0.901 . . . . 0.0 109.281 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -59.95 -41.04 91.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -66.39 -44.84 81.95 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 123.732 0.645 . . . . 0.0 112.026 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.67 72.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 120.583 -1.323 . . . . 0.0 110.794 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -29.43 69.24 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.499 0.72 . . . . 0.0 110.29 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.81 -43.63 92.51 Favored 'General case' 0 C--O 1.231 0.09 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -79.8 -3.1 46.27 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.374 1.07 . . . . 0.0 110.318 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.13 20.89 63.92 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 125.284 1.421 . . . . 0.0 114.224 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.07 116.25 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.885 1.674 . . . . 0.0 106.795 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -149.47 92.43 1.93 Allowed 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.88 -149.66 6.77 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 124.68 1.133 . . . . 0.0 111.294 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -83.32 113.88 21.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.306 1.442 . . . . 0.0 107.799 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.476 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 55.4 m95 -85.91 137.92 32.39 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 123.532 0.733 . . . . 0.0 109.83 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 p -129.29 177.98 6.77 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.398 1.879 . . . . 0.0 109.001 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -155.44 142.55 19.23 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 120.482 -1.386 . . . . 0.0 109.461 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -129.74 80.93 1.99 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -54.81 -34.19 62.47 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.234 1.014 . . . . 0.0 110.86 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.65 -26.01 8.25 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 127.601 2.36 . . . . 0.0 112.211 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.7 t -135.23 18.37 3.41 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.423 1.489 . . . . 0.0 110.573 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttt 44.3 49.15 7.97 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 125.233 1.413 . . . . 0.0 111.555 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.2 m -131.13 138.58 49.55 Favored 'General case' 0 C--O 1.227 -0.105 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -110.32 152.42 26.21 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.0 m -135.27 118.51 16.62 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.0 p -103.07 110.9 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.0 m -106.57 107.72 18.88 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 123.848 0.717 . . . . 0.0 110.265 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.091 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' CG ' ' H ' ' A' ' 2' ' ' GLY . 1.7 ttt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.406 ' H ' ' CG ' ' A' ' 1' ' ' MET . . . 131.34 173.78 13.46 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 125.777 1.656 . . . . 0.0 109.397 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.0 m -88.67 136.22 33.11 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -114.0 153.18 29.8 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 tmmt? -130.28 145.75 51.8 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 124.643 1.177 . . . . 0.0 109.299 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.6 tp -120.31 143.94 48.09 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.4 mt -125.7 103.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.9 mt -82.42 107.13 14.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 106.097 -1.816 . . . . 0.0 106.097 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -109.96 73.47 0.84 Allowed 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.809 1.244 . . . . 0.0 109.125 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.453 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -95.35 150.26 19.61 Favored Glycine 0 N--CA 1.443 -0.893 0 O-C-N 121.295 -0.878 . . . . 0.0 111.714 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -7.78 53.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.545 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.5 p -122.17 -39.92 2.54 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.841 1.257 . . . . 0.0 111.445 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.55 153.58 51.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.662 1.585 . . . . 0.0 107.336 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -140.34 160.64 39.53 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.269 1.427 . . . . 0.0 107.215 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.93 177.2 48.4 Favored Glycine 0 CA--C 1.52 0.406 0 O-C-N 121.194 -0.941 . . . . 0.0 112.613 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -143.98 147.99 34.67 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 t -155.63 161.12 40.86 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 p -135.28 144.34 46.73 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.842 1.257 . . . . 0.0 109.203 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.414 HG22 ' CE1' ' A' ' 31' ' ' PHE . 9.7 t -146.93 152.54 38.83 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.197 1.399 . . . . 0.0 107.371 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -100.31 124.15 45.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.06 148.07 48.68 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 122.268 1.033 . . . . 0.0 111.705 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -67.39 -39.58 82.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.828 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -145.36 169.39 18.37 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.736 1.614 . . . . 0.0 108.205 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -30.96 70.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.291 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.08 -48.79 69.79 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 119.224 0.92 . . . . 0.0 109.952 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.6 m -59.5 -43.05 93.43 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 120.155 1.343 . . . . 0.0 107.821 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.67 -51.13 70.79 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 111.606 0.224 . . . . 0.0 111.606 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.03 -42.75 99.05 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.264 1.426 . . . . 0.0 111.083 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -65.62 -50.16 66.07 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.823 0.738 . . . . 0.0 109.975 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -57.81 -47.59 85.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CE1' HG22 ' A' ' 19' ' ' THR . 9.9 m-30 -66.4 -39.75 89.2 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 116.988 -1.482 . . . . 0.0 110.947 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 10.6 mttp -57.03 -47.4 81.0 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 120.712 1.597 . . . . 0.0 109.693 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.469 HE21 ' ND2' ' A' ' 36' ' ' ASN . 14.9 tp60 -61.82 -42.54 99.15 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -66.6 -41.18 88.84 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.176 0.512 . . . . 0.0 111.074 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.05 -45.93 83.32 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.036 -1.665 . . . . 0.0 109.446 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.469 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.3 -31.93 69.59 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.585 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.52 -42.99 98.45 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 123.627 0.771 . . . . 0.0 109.139 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -79.84 -4.53 52.57 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.505 1.122 . . . . 0.0 109.97 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.81 43.96 40.16 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 125.661 1.6 . . . . 0.0 110.916 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -124.28 120.34 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 C-N-CA 125.634 1.573 . . . . 0.0 108.282 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -159.18 98.33 1.43 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -134.4 -137.35 3.78 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 124.195 0.902 . . . . 0.0 111.765 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -83.54 111.33 18.98 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.785 0.834 . . . . 0.0 109.041 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.521 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 57.9 m95 -87.48 136.81 32.79 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.014 0.926 . . . . 0.0 110.023 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.1 p -126.08 171.48 10.8 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.058 2.143 . . . . 0.0 110.07 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -144.11 142.91 30.87 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 119.6 1.091 . . . . 0.0 109.291 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -133.69 84.51 2.13 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 126.67 1.988 . . . . 0.0 106.674 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.95 -28.6 64.47 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.69 0.796 . . . . 0.0 111.951 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.22 -28.37 18.26 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.621 1.568 . . . . 0.0 112.52 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 t -134.44 6.36 3.53 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.211 1.404 . . . . 0.0 110.178 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp 52.42 51.71 15.63 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 127.288 2.235 . . . . 0.0 109.473 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.8 m -120.85 156.26 32.35 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.439 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -127.68 147.02 50.38 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.065 2.146 . . . . 0.0 106.706 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.5 m -135.33 134.53 39.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 p -117.08 109.97 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.14 96.0 9.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 3.1 tt0 . . . . . 0 C--O 1.25 1.086 0 C-N-CA 124.767 1.227 . . . . 0.0 110.634 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 5.3 ttt . . . . . 0 N--CA 1.468 0.463 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.79 -177.87 18.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 125.262 1.411 . . . . 0.0 110.026 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -83.28 117.29 22.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.555 ' CE2' ' HE3' ' A' ' 51' ' ' LYS . 60.2 m-85 -98.91 160.79 14.02 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -133.59 147.03 51.48 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 124.881 1.272 . . . . 0.0 111.09 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HB3' HG22 ' A' ' 17' ' ' THR . 65.6 tp -123.02 138.48 54.68 Favored 'General case' 0 CA--C 1.511 -0.551 0 C-N-CA 124.613 1.165 . . . . 0.0 108.454 178.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.2 mt -119.41 106.22 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.9 mt -86.56 105.01 16.54 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -108.19 73.16 0.87 Allowed 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.426 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -85.59 155.87 29.8 Favored Glycine 0 N--CA 1.442 -0.904 0 O-C-N 120.212 -1.555 . . . . 0.0 110.508 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -68.99 -24.14 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.158 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.4 p -111.67 -49.98 2.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.552 1.141 . . . . 0.0 110.244 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 tp -125.48 132.71 52.62 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 119.3 0.955 . . . . 0.0 111.103 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 154.2 34.2 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.14 -177.43 44.21 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -147.48 152.17 37.6 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.62 1.168 . . . . 0.0 108.648 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.421 HG22 ' HB3' ' A' ' 6' ' ' LEU . 7.6 t -152.86 165.83 34.21 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.404 1.082 . . . . 0.0 108.311 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 p -140.1 147.79 40.76 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.336 1.054 . . . . 0.0 108.217 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.432 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -146.65 147.31 30.9 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 177.553 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -95.92 105.85 17.92 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 105.205 -2.146 . . . . 0.0 105.205 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -108.92 152.11 25.37 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.758 0.823 . . . . 0.0 109.242 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.0 p -73.89 -39.64 52.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 123.783 0.833 . . . . 0.0 110.492 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -145.49 170.2 16.86 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.79 1.236 . . . . 0.0 109.772 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.42 -30.14 71.18 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 117.421 -1.276 . . . . 0.0 112.191 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.44 -50.0 61.2 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.953 1.251 . . . . 0.0 107.904 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -56.66 -43.25 80.17 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 121.94 -0.475 . . . . 0.0 109.818 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.93 -51.29 67.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.487 0.715 . . . . 0.0 110.752 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -53.24 -47.19 69.22 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.177 1.391 . . . . 0.0 110.642 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -66.51 -47.75 71.98 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 123.663 0.785 . . . . 0.0 111.372 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.65 -48.21 89.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.432 ' CZ ' HG22 ' A' ' 19' ' ' THR . 26.2 m-85 -61.67 -41.21 97.24 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.939 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.485 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 10.2 mttt -57.17 -49.7 75.13 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 119.628 1.104 . . . . 0.0 109.971 178.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -60.55 -41.44 94.54 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.115 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -67.96 -46.06 72.47 Favored 'General case' 0 C--O 1.222 -0.362 0 O-C-N 123.851 0.719 . . . . 0.0 111.275 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.0 -47.2 84.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.81 -1.181 . . . . 0.0 110.8 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -30.34 71.48 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 123.435 0.459 . . . . 0.0 110.735 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.78 -36.64 84.96 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.04 0.936 . . . . 0.0 109.283 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -83.83 -5.0 59.11 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.857 1.263 . . . . 0.0 110.3 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.32 26.0 34.81 Favored Glycine 0 C--N 1.338 0.681 0 C-N-CA 124.974 1.273 . . . . 0.0 113.028 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.9 t -113.06 116.73 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 125.137 1.375 . . . . 0.0 109.667 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -155.08 95.9 1.78 Allowed 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.99 -137.69 3.78 Favored Glycine 0 CA--C 1.511 -0.212 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.562 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -84.41 113.91 21.52 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 55.6 m95 -89.65 141.62 28.43 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.599 0.76 . . . . 0.0 109.676 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 p -128.19 -176.98 3.97 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.719 1.608 . . . . 0.0 108.487 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -159.71 141.19 12.85 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.668 -1.27 . . . . 0.0 109.681 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -132.11 80.2 1.9 Allowed 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 127.882 2.473 . . . . 0.0 105.581 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.49 -29.35 66.18 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.834 -0.542 . . . . 0.0 111.487 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.97 -28.91 10.9 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.828 2.051 . . . . 0.0 111.147 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 t -136.4 20.26 3.15 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.6 1.96 . . . . 0.0 110.019 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.555 ' HE3' ' CE2' ' A' ' 4' ' ' TYR . 22.1 mtpp 37.77 55.6 1.55 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 128.609 2.763 . . . . 0.0 111.436 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -127.04 140.33 52.37 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -112.63 151.26 30.33 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 104.353 -2.462 . . . . 0.0 104.353 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.2 m -135.11 115.21 13.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 p -102.95 112.08 35.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 C-N-CA 124.084 0.954 . . . . 0.0 108.586 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 m -103.23 100.6 10.51 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 7.6 tm-20 . . . . . 0 C--O 1.247 0.938 0 C-N-CA 127.411 2.284 . . . . 0.0 112.593 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.423 ' CG ' ' H ' ' A' ' 2' ' ' GLY . 6.4 ttt . . . . . 0 N--CA 1.469 0.489 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.423 ' H ' ' CG ' ' A' ' 1' ' ' MET . . . 132.99 -175.77 19.9 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 125.315 1.436 . . . . 0.0 109.822 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 m -91.31 140.81 29.42 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 114.054 -1.073 . . . . 0.0 109.66 -178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -121.5 152.77 38.78 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.169 1.788 . . . . 0.0 107.352 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -130.56 145.64 51.92 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 125.684 1.594 . . . . 0.0 109.346 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.0 tp -122.79 138.32 54.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -123.05 102.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.16 104.33 12.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -105.95 74.05 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.673 1.589 . . . . 0.0 110.043 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -93.72 156.37 22.48 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-O 123.755 1.753 . . . . 0.0 114.628 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -77.25 -13.67 59.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 113.733 -1.234 . . . . 0.0 109.854 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.1 t -127.93 -37.27 1.93 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -135.73 145.72 46.94 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -139.86 161.13 38.31 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.611 1.096 . . . . 0.0 109.967 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.94 179.24 48.91 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 119.093 0.861 . . . . 0.0 111.575 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -148.03 149.31 31.88 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.444 0.698 . . . . 0.0 110.054 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 t -153.31 159.09 42.44 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.492 1.117 . . . . 0.0 108.494 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.47 139.5 51.58 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 126.229 1.812 . . . . 0.0 106.626 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.34 152.02 38.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -101.84 126.75 48.79 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.15 151.58 50.52 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 122.207 1.003 . . . . 0.0 110.457 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 m -68.12 -40.93 83.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.372 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -144.48 170.66 15.62 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 126.157 1.783 . . . . 0.0 109.42 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.35 75.26 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.855 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.55 -47.89 74.29 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 119.295 0.952 . . . . 0.0 110.051 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.0 m -58.24 -45.58 87.51 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.72 -50.65 73.12 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.076 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.51 -39.35 90.66 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.706 1.202 . . . . 0.0 111.383 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -66.64 -50.37 63.19 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.404 1.002 . . . . 0.0 109.346 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.19 -51.18 72.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -64.23 -40.33 95.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.542 -1.218 . . . . 0.0 111.674 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.482 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 9.2 mttt -57.01 -48.12 79.24 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 120.318 1.417 . . . . 0.0 109.027 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.497 HE21 ' ND2' ' A' ' 36' ' ' ASN . 10.1 tp60 -62.15 -41.64 98.48 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -61.19 -47.03 88.02 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.797 0.808 . . . . 0.0 111.06 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.64 72.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.059 -1.026 . . . . 0.0 110.934 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.497 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.08 -31.86 69.27 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.703 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.88 -35.07 79.62 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 118.475 0.579 . . . . 0.0 109.72 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -85.45 -2.38 58.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.258 1.423 . . . . 0.0 109.526 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.71 36.54 53.24 Favored Glycine 0 C--N 1.338 0.64 0 C-N-CA 125.165 1.364 . . . . 0.0 111.349 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -115.35 122.21 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -152.31 103.27 2.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -140.92 -156.73 6.93 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 124.776 1.179 . . . . 0.0 112.391 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -74.97 113.45 12.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.482 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 62.9 m95 -87.66 132.35 34.13 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.979 0.912 . . . . 0.0 110.083 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 p -123.64 169.76 11.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.624 1.97 . . . . 0.0 109.334 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -147.72 147.35 29.83 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 119.75 1.159 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -139.12 91.73 2.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 126.275 1.83 . . . . 0.0 106.668 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.69 -32.13 70.22 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.336 -0.852 . . . . 0.0 111.754 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.9 -24.59 9.53 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.141 1.776 . . . . 0.0 113.376 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.7 t -134.77 2.76 3.19 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.695 1.598 . . . . 0.0 110.45 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.2 mttm 49.19 58.34 5.49 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 128.413 2.685 . . . . 0.0 109.65 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.8 m -127.8 150.2 49.93 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.611 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -122.34 141.39 51.6 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 127.372 2.269 . . . . 0.0 106.014 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.2 m -131.46 130.32 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.91 109.52 28.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 98.69 11.52 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 3.5 tt0 . . . . . 0 C--O 1.249 1.056 0 C-N-CA 126.59 1.956 . . . . 0.0 112.589 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 ttt . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.93 -179.05 17.68 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 128.388 2.899 . . . . 0.0 110.941 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.3 m -83.24 137.08 34.16 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -116.48 157.8 24.6 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 125.836 1.654 . . . . 0.0 107.01 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -132.98 145.5 50.93 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.647 1.179 . . . . 0.0 109.779 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.8 tp -122.06 142.29 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 mt -127.29 102.13 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.5 mt -81.19 105.1 12.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -108.43 74.56 0.93 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.278 1.031 . . . . 0.0 108.629 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.411 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -95.77 152.91 20.48 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-O 123.074 1.374 . . . . 0.0 113.975 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -63.83 -22.33 66.86 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.967 1.307 . . . . 0.0 110.988 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.0 t -117.93 -36.68 3.57 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.662 1.185 . . . . 0.0 113.034 -177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.9 tp -135.96 153.04 51.53 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 118.044 -0.979 . . . . 0.0 108.748 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.17 153.62 45.44 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.99 -179.65 44.76 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 123.676 0.655 . . . . 0.0 111.476 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -146.03 157.75 43.87 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.429 1.092 . . . . 0.0 109.782 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.5 t -159.93 163.69 34.02 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.936 1.694 . . . . 0.0 108.373 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 p -138.62 141.86 39.12 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.263 1.425 . . . . 0.0 107.998 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 t -146.9 152.36 38.57 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.629 1.172 . . . . 0.0 108.27 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -98.94 116.87 32.16 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.18 151.58 38.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.202 1.001 . . . . 0.0 109.942 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.9 p -67.24 -39.56 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 123.707 0.803 . . . . 0.0 112.021 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -148.39 164.34 34.41 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.849 1.26 . . . . 0.0 108.366 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -33.15 72.06 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.958 0.903 . . . . 0.0 111.322 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.13 95.16 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 m -66.33 -44.57 82.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 123.788 0.835 . . . . 0.0 109.032 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.61 -47.58 73.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.441 0.696 . . . . 0.0 110.083 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -59.53 -42.73 92.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.86 0.864 . . . . 0.0 111.555 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -63.67 -50.3 69.79 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.136 0.88 . . . . 0.0 110.032 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.0 t -55.91 -51.07 64.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -63.52 -38.38 90.92 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 117.34 -1.314 . . . . 0.0 111.722 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.469 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 2.5 mttt -56.87 -48.02 79.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 120.684 1.583 . . . . 0.0 108.693 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.515 HE21 ' ND2' ' A' ' 36' ' ' ASN . 13.6 tp60 -61.48 -42.77 99.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -62.48 -40.87 98.05 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.453 0.644 . . . . 0.0 111.172 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.15 74.21 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 120.703 -1.248 . . . . 0.0 109.238 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.515 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.95 -30.0 68.78 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.504 0.722 . . . . 0.0 109.551 178.218 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.51 -38.26 89.17 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.847 0.859 . . . . 0.0 109.213 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -86.82 -2.65 58.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.831 1.652 . . . . 0.0 110.48 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.79 39.38 65.77 Favored Glycine 0 C--N 1.341 0.84 0 C-N-CA 125.631 1.586 . . . . 0.0 111.507 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.4 t -115.98 121.41 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 124.952 1.301 . . . . 0.0 109.108 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -150.5 100.8 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -139.66 -148.27 5.19 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 125.818 1.675 . . . . 0.0 112.463 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -79.52 114.54 18.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.469 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 58.3 m95 -89.85 132.55 35.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.9 p -121.69 172.38 8.18 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.528 1.931 . . . . 0.0 110.01 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -146.42 138.82 25.14 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.894 -1.129 . . . . 0.0 109.072 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.63 83.22 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 127.529 2.332 . . . . 0.0 106.072 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -56.1 -27.94 55.81 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.416 1.086 . . . . 0.0 112.58 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.09 -29.12 60.14 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.671 1.589 . . . . 0.0 111.804 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.2 t -135.55 16.59 3.37 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.357 1.463 . . . . 0.0 109.48 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt 41.1 46.5 2.58 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 128.041 2.536 . . . . 0.0 110.831 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.6 m -109.07 155.32 21.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.025 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -126.42 140.57 52.38 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.777 2.431 . . . . 0.0 106.087 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.0 m -131.17 132.75 44.95 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -115.9 109.2 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.19 97.06 10.4 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.474 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 1.5 tt0 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.249 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 11.3 ttt . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.52 -175.3 20.01 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 125.792 1.663 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m -75.16 137.39 41.29 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 124.291 1.037 . . . . 0.0 110.785 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 21' ' ' ALA . 76.6 m-85 -124.69 157.32 35.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.843 2.057 . . . . 0.0 107.28 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -135.62 146.18 47.63 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.183 1.393 . . . . 0.0 110.193 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.07 139.84 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.4 mt -124.79 103.66 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -83.52 105.1 14.18 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -105.08 73.88 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.7 152.5 21.12 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -64.28 -14.77 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.372 1.469 . . . . 0.0 113.296 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.8 p -142.65 -19.36 0.68 Allowed 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.394 1.477 . . . . 0.0 112.972 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -135.55 132.99 37.91 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 123.664 0.786 . . . . 0.0 109.611 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -139.29 160.3 40.14 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.182 0.515 . . . . 0.0 109.755 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.11 166.55 34.71 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.683 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -133.29 126.46 31.51 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 121.793 -0.828 . . . . 0.0 109.107 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -128.79 164.64 22.59 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.179 1.391 . . . . 0.0 109.044 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 p -145.98 138.64 25.61 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 123.721 0.809 . . . . 0.0 110.099 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.0 t -146.81 151.03 36.46 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.5 128.26 36.48 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' CD2' ' A' ' 4' ' ' TYR . . . -124.21 153.01 42.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.3 m -68.09 -37.66 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 123.532 0.733 . . . . 0.0 110.495 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -150.24 163.82 37.29 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.73 -27.57 69.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.288 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.92 68.56 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 m -62.51 -43.16 99.48 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.085 1.354 . . . . 0.0 109.356 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.59 -49.42 74.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.285 0.564 . . . . 0.0 109.767 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.46 -41.39 94.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 123.485 0.714 . . . . 0.0 111.44 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -64.43 -48.72 74.26 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.52 -0.737 . . . . 0.0 110.883 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.25 -54.77 30.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -58.69 -38.93 79.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.76 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 7.0 mttp -58.7 -49.87 76.0 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.867 1.212 . . . . 0.0 108.753 178.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -57.84 -41.65 82.76 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -67.43 -45.47 76.0 Favored 'General case' 0 C--O 1.226 -0.134 0 O-C-N 123.415 0.447 . . . . 0.0 111.415 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.26 85.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.028 -1.045 . . . . 0.0 109.485 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -31.11 70.94 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 123.121 0.568 . . . . 0.0 109.653 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.65 -33.0 74.91 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -91.34 -5.86 53.93 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.386 1.474 . . . . 0.0 110.623 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.76 27.96 48.61 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.851 1.691 . . . . 0.0 112.975 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.5 t -101.74 121.16 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 124.619 1.167 . . . . 0.0 108.407 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -149.91 101.41 3.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -137.59 -154.8 6.7 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 125.105 1.336 . . . . 0.0 111.946 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -85.69 115.79 23.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.442 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 62.5 m95 -88.83 136.12 33.17 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.771 0.828 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 p -122.57 167.59 13.2 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.803 1.641 . . . . 0.0 107.551 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -149.67 130.17 13.92 Favored 'General case' 0 CA--C 1.518 -0.255 0 O-C-N 121.095 -1.003 . . . . 0.0 109.509 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -117.61 91.85 3.68 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.499 1.92 . . . . 0.0 106.3 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -57.77 -36.06 71.63 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.006 0.922 . . . . 0.0 111.205 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.84 -35.11 30.74 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.974 1.31 . . . . 0.0 112.374 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 t -121.38 2.96 10.29 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.979 1.312 . . . . 0.0 111.766 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HE3' ' CE1' ' A' ' 4' ' ' TYR . 17.0 mtpp 47.19 59.99 3.72 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.395 1.878 . . . . 0.0 108.009 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.6 m -134.55 139.62 45.53 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.152 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -112.68 148.5 34.55 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.1 m -133.13 126.17 31.13 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 p -111.15 116.34 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 105.825 -1.916 . . . . 0.0 105.825 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.34 100.96 10.53 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 2.0 tt0 . . . . . 0 C--O 1.251 1.144 0 C-N-CA 125.084 1.354 . . . . 0.0 110.13 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 ttt . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.45 -176.92 18.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 125.426 1.489 . . . . 0.0 111.281 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.2 m -83.1 128.42 34.47 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -113.91 144.33 43.23 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.881 1.672 . . . . 0.0 108.026 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -116.87 145.98 43.22 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 124.641 1.176 . . . . 0.0 109.296 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.3 tp -125.78 129.76 50.09 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt -114.75 109.95 30.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.465 1.506 . . . . 0.0 107.064 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.89 105.27 16.95 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -104.22 74.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.401 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -97.28 143.97 17.05 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-O 122.275 0.93 . . . . 0.0 112.058 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -69.94 -18.08 63.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.166 0.586 . . . . 0.0 110.026 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 p -102.49 -55.35 2.47 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 127.226 2.21 . . . . 0.0 109.712 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.0 tp -136.47 144.22 44.25 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 122.61 0.364 . . . . 0.0 111.904 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -129.27 151.86 49.47 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.627 0.771 . . . . 0.0 109.192 178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.67 173.3 45.76 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -137.52 156.79 47.72 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.316 1.047 . . . . 0.0 109.908 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 t -153.65 162.21 41.46 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.577 1.951 . . . . 0.0 107.309 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 p -136.77 136.85 39.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.42 HG22 ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -147.05 151.04 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 119.493 1.042 . . . . 0.0 108.81 179.176 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -97.47 125.61 42.24 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.726 -1.954 . . . . 0.0 105.726 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.5 153.13 45.55 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 p -68.22 -35.57 71.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-O 119.179 -0.438 . . . . 0.0 111.351 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -153.24 174.68 13.96 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 125.289 1.436 . . . . 0.0 109.082 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -22.94 67.18 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.664 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.07 -50.51 19.3 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 119.84 1.2 . . . . 0.0 109.387 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.464 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 88.4 m -57.76 -41.97 83.06 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.03 -51.07 70.78 Favored 'General case' 0 N--CA 1.439 -1.0 0 O-C-N 123.389 0.431 . . . . 0.0 111.802 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.99 -39.95 91.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 50.9 mtmt -66.58 -50.0 64.5 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.301 0.641 . . . . 0.0 110.285 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.0 t -57.66 -56.8 13.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.42 ' CE1' HG22 ' A' ' 19' ' ' THR . 20.8 m-30 -56.53 -40.19 74.67 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-O 118.05 -0.976 . . . . 0.0 112.84 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 2.9 mttp -55.59 -48.33 75.03 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 118.722 0.692 . . . . 0.0 109.681 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.555 HE21 ' ND2' ' A' ' 36' ' ' ASN . 12.7 tp60 -62.26 -41.43 98.44 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -62.34 -40.4 96.23 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-O 121.769 0.795 . . . . 0.0 111.074 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.03 -45.43 70.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 120.384 -1.448 . . . . 0.0 109.502 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.555 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.31 -32.82 68.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.345 0.658 . . . . 0.0 109.361 178.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.86 -40.98 99.16 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.353 1.061 . . . . 0.0 109.346 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -83.87 -2.49 56.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.497 1.119 . . . . 0.0 110.894 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.12 41.89 59.5 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 125.175 1.369 . . . . 0.0 111.159 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.2 t -116.42 122.54 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -154.5 95.96 1.85 Allowed 'General case' 0 C--O 1.237 0.43 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.98 -138.2 3.33 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.528 1.061 . . . . 0.0 113.235 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -84.94 110.73 19.09 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.163 0.985 . . . . 0.0 111.566 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.47 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.6 m95 -85.6 136.69 33.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.806 1.242 . . . . 0.0 109.44 178.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.4 p -129.49 172.11 11.88 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.842 2.057 . . . . 0.0 110.51 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -149.23 145.52 27.15 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.738 1.154 . . . . 0.0 109.029 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -137.08 94.48 2.96 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 126.688 1.995 . . . . 0.0 106.081 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -63.21 -26.42 68.79 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.143 0.977 . . . . 0.0 112.673 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.29 -22.44 64.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.382 1.473 . . . . 0.0 113.063 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 t -135.24 10.75 3.53 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.642 1.977 . . . . 0.0 109.45 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt 38.77 52.77 1.92 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 128.29 2.636 . . . . 0.0 110.163 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.2 m -120.37 148.1 44.19 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.347 0.659 . . . . 0.0 110.987 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -119.28 140.35 50.42 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 127.642 2.377 . . . . 0.0 105.773 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.5 m -133.54 135.71 44.54 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -116.24 111.88 37.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.03 103.23 15.14 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 8.4 tt0 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 123.741 0.816 . . . . 0.0 110.271 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 10.8 ttt . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 120.462 0.172 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.73 -177.12 19.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 124.582 1.087 . . . . 0.0 112.156 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -77.82 139.36 39.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.766 0.827 . . . . 0.0 112.029 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.453 ' CD2' ' HB3' ' A' ' 21' ' ' ALA . 64.2 m-85 -126.86 160.09 31.99 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 127.609 2.364 . . . . 0.0 109.452 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -133.48 146.1 50.8 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.778 1.631 . . . . 0.0 109.691 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 tp -126.84 136.22 52.05 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.1 mt -121.12 107.14 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 105.284 -2.117 . . . . 0.0 105.284 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.7 mt -84.69 105.86 15.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -109.08 74.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.423 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -96.26 150.64 19.68 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-O 122.298 0.943 . . . . 0.0 112.458 -179.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -65.27 -20.43 66.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.653 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.0 p -125.72 -25.34 3.68 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 120.079 1.309 . . . . 0.0 112.032 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 tt -135.18 133.23 38.88 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 119.876 1.216 . . . . 0.0 108.872 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -132.83 154.28 50.47 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.09 178.68 48.2 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -143.77 133.51 23.78 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.391 1.076 . . . . 0.0 110.09 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.7 t -137.73 162.49 33.75 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.061 0.945 . . . . 0.0 109.131 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 p -141.75 137.52 31.69 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 125.91 1.684 . . . . 0.0 108.186 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 t -147.01 152.66 38.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.663 0.785 . . . . 0.0 109.613 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -93.13 122.7 35.78 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' HB3' ' CD2' ' A' ' 4' ' ' TYR . . . -117.16 149.56 40.16 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.716 0.807 . . . . 0.0 110.278 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m -67.91 -34.58 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 125.959 1.704 . . . . 0.0 111.632 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -158.07 164.04 37.08 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 126.83 2.052 . . . . 0.0 106.921 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.67 -28.77 70.13 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.58 0.752 . . . . 0.0 112.937 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.1 81.28 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.543 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 22.4 m -69.81 -34.84 74.25 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.43 73.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.82 -42.75 99.86 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.886 1.674 . . . . 0.0 110.191 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.543 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 44.9 mtmt -62.77 -48.14 80.44 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 120.923 -1.111 . . . . 0.0 110.309 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.6 t -61.55 -54.06 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -60.08 -39.73 87.08 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 117.365 -1.303 . . . . 0.0 111.298 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.4 OUTLIER -58.51 -47.9 82.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.457 1.48 . . . . 0.0 108.98 178.359 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -58.81 -43.1 90.48 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -67.7 -47.88 68.14 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.645 0.59 . . . . 0.0 112.149 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.95 92.6 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.581 -0.7 . . . . 0.0 110.166 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -32.42 73.91 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.12 -32.26 73.6 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -88.81 -6.07 57.62 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.291 1.036 . . . . 0.0 110.572 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.13 28.26 41.74 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 126.01 1.767 . . . . 0.0 113.224 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t -106.46 121.14 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -147.97 104.29 3.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -142.08 -148.66 5.05 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.916 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -84.33 114.38 21.82 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 52.1 m95 -87.99 131.29 34.68 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.4 p -118.65 174.08 6.48 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 125.251 1.42 . . . . 0.0 109.007 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -150.01 134.56 17.46 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.366 -0.834 . . . . 0.0 109.988 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -122.53 86.48 2.59 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 128.961 2.904 . . . . 0.0 105.599 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.1 -39.28 66.23 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.661 1.184 . . . . 0.0 111.75 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.03 13.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.549 1.54 . . . . 0.0 113.639 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 t -129.39 13.12 6.04 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.576 1.15 . . . . 0.0 111.141 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt 43.7 56.11 4.7 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 125.367 1.467 . . . . 0.0 108.984 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 78.5 m -128.46 142.23 51.15 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.365 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -118.39 150.58 39.29 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 104.447 -2.427 . . . . 0.0 104.447 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.1 m -134.67 138.21 44.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.82 107.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 103.15 15.13 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 105.138 -2.171 . . . . 0.0 105.138 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.491 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 15.9 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 124.357 1.063 . . . . 0.0 111.451 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttt . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 118.76 -0.638 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.74 175.22 13.83 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 125.592 1.568 . . . . 0.0 111.862 -179.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 m -84.31 129.3 34.89 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 124.364 1.066 . . . . 0.0 111.668 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -113.25 154.45 26.75 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.576 1.15 . . . . 0.0 108.986 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -130.64 143.83 51.02 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.864 1.266 . . . . 0.0 107.632 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.1 tp -119.32 141.21 49.21 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mt -125.22 109.96 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.8 mt -86.57 105.13 16.63 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -103.24 73.43 1.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 103.255 -2.868 . . . . 0.0 103.255 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.65 141.03 15.39 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -63.34 -18.41 63.61 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.89 0.876 . . . . 0.0 111.416 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.2 p -121.45 -34.31 3.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 118.832 -0.604 . . . . 0.0 111.761 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.427 HD22 ' HB3' ' A' ' 38' ' ' ASN . 7.0 tt -136.45 130.61 32.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 125.119 1.367 . . . . 0.0 110.078 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -122.53 160.57 25.35 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.74 178.49 48.48 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -147.29 148.7 31.69 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.93 1.292 . . . . 0.0 109.268 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.2 t -151.39 164.12 37.42 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 125.475 1.51 . . . . 0.0 107.027 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -138.87 140.3 38.4 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.082 1.353 . . . . 0.0 108.283 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -146.89 151.28 36.79 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.87 114.97 29.29 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.36 156.09 30.73 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.401 0.62 . . . . 0.0 110.465 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.92 -36.28 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 118.38 -0.819 . . . . 0.0 112.086 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -154.13 166.47 33.0 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.48 -29.56 70.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.534 0.733 . . . . 0.0 111.33 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.83 -45.9 87.47 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.762 0.71 . . . . 0.0 109.971 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 m -67.1 -43.58 82.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -47.76 76.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.156 0.582 . . . . 0.0 110.709 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -56.82 -45.35 82.36 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.243 1.417 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -66.81 -49.98 64.07 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.189 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 t -54.22 -52.78 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -63.35 -40.45 97.31 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 117.203 -1.379 . . . . 0.0 111.237 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.518 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 1.4 mmtt -55.94 -47.48 77.48 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 120.993 1.724 . . . . 0.0 109.132 178.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -61.06 -44.86 96.76 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -63.69 -42.37 98.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.357 0.598 . . . . 0.0 110.927 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.39 -45.56 75.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 120.352 -1.468 . . . . 0.0 109.779 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -32.03 68.3 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.85 -43.04 89.64 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 121.546 0.689 . . . . 0.0 109.191 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' HB3' HD22 ' A' ' 13' ' ' LEU . 39.3 m-80 -77.96 -5.81 52.4 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.168 0.987 . . . . 0.0 110.237 178.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.61 36.91 53.22 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 125.387 1.47 . . . . 0.0 111.266 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.84 121.43 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 C-N-CA 125.59 1.556 . . . . 0.0 106.89 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -156.13 105.01 2.3 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.69 -142.84 4.15 Favored Glycine 0 C--O 1.229 -0.209 0 C-N-CA 124.121 0.867 . . . . 0.0 111.266 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -81.73 115.25 20.88 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.518 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 51.1 m95 -87.55 132.76 33.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.6 p -123.92 171.77 9.44 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 126.486 1.914 . . . . 0.0 110.028 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -151.19 146.31 26.01 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 120.74 -1.225 . . . . 0.0 109.838 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -140.59 93.43 2.61 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.13 -29.04 65.22 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.357 1.463 . . . . 0.0 111.436 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.69 -30.2 13.13 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 127.023 2.129 . . . . 0.0 111.864 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.3 t -135.64 15.65 3.38 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.928 1.291 . . . . 0.0 108.553 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm 41.65 51.77 3.94 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 126.365 1.866 . . . . 0.0 109.185 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -117.02 149.79 39.69 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.893 -0.504 . . . . 0.0 109.945 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -124.09 142.38 51.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.231 2.213 . . . . 0.0 106.245 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -134.0 137.23 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.82 111.51 35.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.38 96.07 7.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 . . . . . 0 C--O 1.248 0.984 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.068 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.544 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 8.0 ttt . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.48 ' H ' ' HG2' ' A' ' 1' ' ' MET . . . 117.99 168.1 14.33 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 126.121 1.82 . . . . 0.0 111.763 178.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 m -85.43 113.5 21.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 104.143 -2.539 . . . . 0.0 104.143 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 21' ' ' ALA . 57.8 m-85 -92.98 164.28 13.35 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -133.96 146.5 50.52 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 124.71 1.204 . . . . 0.0 111.374 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -122.89 137.88 54.82 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 125.123 1.369 . . . . 0.0 108.294 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 mt -119.63 100.3 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 105.99 -1.855 . . . . 0.0 105.99 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.0 mt -79.05 107.49 11.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 104.2 -2.518 . . . . 0.0 104.2 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -111.34 74.94 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -97.77 147.14 18.51 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-O 121.783 0.657 . . . . 0.0 112.606 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -60.49 -27.13 67.33 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 124.99 1.316 . . . . 0.0 110.412 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -110.67 -45.74 3.47 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 124.502 1.121 . . . . 0.0 110.185 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 tp -135.3 127.8 30.59 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 119.714 1.143 . . . . 0.0 112.24 -178.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 156.78 24.49 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.231 1.413 . . . . 0.0 109.275 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.95 170.02 40.98 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 124.006 0.812 . . . . 0.0 111.847 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.61 139.86 49.26 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.43 1.492 . . . . 0.0 108.622 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 t -147.12 166.01 28.23 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.019 1.328 . . . . 0.0 108.362 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -141.44 150.45 42.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.515 1.126 . . . . 0.0 109.512 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.483 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 1.2 t -145.93 146.84 31.21 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -91.79 110.74 22.08 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 103.516 -2.772 . . . . 0.0 103.516 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.544 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -115.16 141.18 48.37 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -179.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.53 -34.65 69.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.093 0.957 . . . . 0.0 110.544 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -142.76 162.92 34.19 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.331 1.452 . . . . 0.0 107.77 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.27 -23.96 67.18 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 119.19 -0.433 . . . . 0.0 110.272 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.73 -50.92 54.83 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.435 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 4.6 m -58.66 -40.53 83.74 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.813 0.845 . . . . 0.0 109.11 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.94 -51.74 66.88 Favored 'General case' 0 C--N 1.343 0.314 0 O-C-N 123.664 0.602 . . . . 0.0 110.162 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -51.78 -47.73 64.09 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 125.125 1.37 . . . . 0.0 111.168 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 26' ' ' THR . 51.4 mtmt -65.77 -49.86 66.81 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 124.739 1.215 . . . . 0.0 111.178 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.81 -46.32 87.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.483 ' CZ ' HG22 ' A' ' 19' ' ' THR . 24.2 m-85 -62.81 -40.57 97.78 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 117.684 -1.15 . . . . 0.0 111.118 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 24.7 mttp -58.67 -48.88 79.57 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 119.999 1.272 . . . . 0.0 109.615 178.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -57.83 -42.02 83.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.45 -50.39 71.63 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 124.147 0.905 . . . . 0.0 111.215 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.57 -48.34 77.83 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.201 -0.937 . . . . 0.0 111.981 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -31.4 69.95 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.543 0.737 . . . . 0.0 110.287 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.1 -31.39 72.23 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.844 0.858 . . . . 0.0 109.707 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -95.15 0.65 54.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.126 1.37 . . . . 0.0 111.379 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.14 26.63 52.08 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 124.713 1.149 . . . . 0.0 114.151 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 t -108.56 118.78 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 125.245 1.418 . . . . 0.0 108.472 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -152.49 84.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.04 -152.69 8.46 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 125.081 1.324 . . . . 0.0 111.563 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -82.39 107.55 15.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.527 1.131 . . . . 0.0 108.809 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 65.6 m95 -79.4 138.95 37.83 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.57 1.148 . . . . 0.0 109.062 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.7 p -125.34 -168.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 126.538 1.935 . . . . 0.0 107.768 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -165.09 145.1 7.03 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.428 1.491 . . . . 0.0 107.364 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -133.82 87.18 2.35 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -56.86 -35.39 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 123.122 0.569 . . . . 0.0 112.141 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.9 -29.63 12.53 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.856 1.662 . . . . 0.0 112.586 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 t -135.62 19.29 3.31 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.993 1.317 . . . . 0.0 109.2 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 34.42 59.48 0.63 Allowed 'General case' 0 C--N 1.347 0.467 0 C-N-CA 128.323 2.649 . . . . 0.0 110.93 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.7 m -126.82 150.62 49.09 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.659 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -124.01 152.25 42.79 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.071 -2.196 . . . . 0.0 105.071 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -131.65 138.8 48.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.16 107.03 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 103.865 -2.642 . . . . 0.0 103.865 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.35 97.47 9.86 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.756 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.242 0.684 0 N-CA-C 103.219 -2.882 . . . . 0.0 103.219 177.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.43 ' HG3' ' H ' ' A' ' 2' ' ' GLY . 3.1 ttt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.43 ' H ' ' HG3' ' A' ' 1' ' ' MET . . . 131.01 172.43 13.12 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 125.292 1.425 . . . . 0.0 111.74 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 m -82.61 114.6 21.11 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -92.9 164.32 13.36 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 126.239 1.816 . . . . 0.0 106.81 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -133.57 146.86 51.39 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.453 1.101 . . . . 0.0 111.198 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.6 tp -124.87 141.78 51.89 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.8 mt -124.92 106.22 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 126.05 1.74 . . . . 0.0 107.048 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.3 mt -85.86 105.0 16.04 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -107.36 74.3 0.96 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.28 1.832 . . . . 0.0 106.413 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.67 155.41 18.35 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-O 123.265 1.48 . . . . 0.0 115.587 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -72.93 -13.36 61.24 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.919 1.688 . . . . 0.0 111.294 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.1 p -130.79 -35.11 1.46 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 119.259 0.936 . . . . 0.0 112.868 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -135.69 144.53 46.01 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -142.05 160.5 40.09 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.427 1.091 . . . . 0.0 108.538 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.38 169.28 33.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -130.6 152.01 50.44 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 120.918 -1.342 . . . . 0.0 108.441 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -151.21 165.01 35.27 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -134.16 146.23 49.99 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.39 151.55 38.45 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -101.24 117.72 35.54 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.06 153.63 46.58 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.814 0.816 . . . . 0.0 110.823 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.28 -41.17 86.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.458 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -145.09 161.8 38.57 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 125.417 1.487 . . . . 0.0 108.409 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.5 -33.93 68.54 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.424 0.69 . . . . 0.0 109.277 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.41 93.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.123 0.969 . . . . 0.0 110.867 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 m -75.26 -39.98 59.3 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.37 -44.81 80.53 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.79 -40.0 86.85 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.345 1.058 . . . . 0.0 111.21 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -66.11 -50.83 62.67 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.256 0.934 . . . . 0.0 109.576 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -57.53 -46.85 86.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.66 0.6 . . . . 0.0 109.473 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -66.13 -40.48 90.7 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 117.679 -1.153 . . . . 0.0 111.168 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.528 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 6.5 mttt -55.89 -48.46 75.56 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 120.167 1.349 . . . . 0.0 108.442 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.51 HE21 ' ND2' ' A' ' 36' ' ' ASN . 18.8 tp60 -63.31 -42.5 99.03 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.597 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.41 -45.53 93.27 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-O 121.672 0.749 . . . . 0.0 110.434 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.67 -49.32 69.02 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.16 -0.962 . . . . 0.0 110.717 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.51 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.46 -32.49 68.78 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.489 0.716 . . . . 0.0 109.633 178.711 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -66.02 -36.88 84.45 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -84.17 -4.65 58.95 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.336 1.054 . . . . 0.0 109.973 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.89 36.41 41.89 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 124.881 1.229 . . . . 0.0 112.105 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -114.54 125.23 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -156.34 104.59 2.23 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 177.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.433 ' H ' ' CG2' ' A' ' 55' ' ' VAL . . . -138.22 -155.12 6.69 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 124.843 1.211 . . . . 0.0 110.973 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -78.37 111.78 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.528 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 60.5 m95 -82.56 138.45 34.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.392 1.477 . . . . 0.0 110.048 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.3 p -129.71 172.29 11.77 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.616 1.966 . . . . 0.0 110.472 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -142.39 133.34 25.77 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 120.791 -1.193 . . . . 0.0 109.084 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -123.18 80.52 1.78 Allowed 'General case' 0 C--O 1.236 0.361 0 C-N-CA 127.578 2.351 . . . . 0.0 106.159 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -52.56 -32.86 43.05 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.93 1.292 . . . . 0.0 112.739 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.63 -29.8 11.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.404 2.282 . . . . 0.0 113.011 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.0 t -136.03 17.8 3.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.508 1.923 . . . . 0.0 107.092 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? 36.21 52.28 0.87 Allowed 'General case' 0 C--N 1.35 0.589 0 C-N-CA 128.586 2.754 . . . . 0.0 109.939 -178.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -113.01 157.33 21.66 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 113.881 -1.508 . . . . 0.0 109.596 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -128.34 145.5 51.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.392 2.277 . . . . 0.0 106.915 178.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.6 m -134.74 138.26 44.19 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.433 ' CG2' ' H ' ' A' ' 42' ' ' GLY . 4.1 p -119.92 112.98 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 178.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.06 96.05 6.98 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.873 0.368 . . . . 0.0 110.54 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 C--O 1.246 0.887 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 178.238 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 4.5 ttt . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 119.892 -0.099 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.01 176.88 14.59 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 125.493 1.521 . . . . 0.0 111.055 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -81.29 114.25 19.95 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -96.9 162.86 13.21 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.689 1.196 . . . . 0.0 107.808 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -137.22 147.86 46.1 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 123.968 0.907 . . . . 0.0 111.298 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.48 HD21 HD21 ' A' ' 8' ' ' LEU . 40.6 tp -129.69 129.87 44.79 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.8 mt -109.95 112.43 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.48 HD21 HD21 ' A' ' 6' ' ' LEU . 86.9 mt -91.71 109.08 20.39 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -110.66 75.09 0.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.482 ' HA2' ' HB2' ' A' ' 57' ' ' GLU . . . -89.86 152.92 22.7 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-O 121.796 0.664 . . . . 0.0 112.538 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -67.03 -22.25 65.89 Favored 'General case' 0 CA--C 1.518 -0.255 0 O-C-N 122.136 -0.626 . . . . 0.0 110.771 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.7 p -119.43 -33.72 4.01 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 117.488 -1.244 . . . . 0.0 111.549 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -135.84 143.13 44.94 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.781 1.173 . . . . 0.0 109.746 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.41 156.53 48.77 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.31 -178.41 44.2 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.406 1.003 . . . . 0.0 111.544 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -143.93 143.67 31.36 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 125.661 1.585 . . . . 0.0 109.093 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 t -147.86 167.49 24.66 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.792 1.237 . . . . 0.0 108.663 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.4 p -144.34 146.62 32.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.463 1.105 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.412 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 4.4 t -146.83 139.04 24.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.096 0.407 . . . . 0.0 110.596 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -89.85 105.88 18.1 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 103.016 -2.957 . . . . 0.0 103.016 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 1' ' ' MET . . . -111.3 156.25 21.81 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 123.384 0.674 . . . . 0.0 109.534 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.1 p -67.91 -40.77 84.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 124.023 0.929 . . . . 0.0 110.886 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -147.98 166.38 27.89 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.99 0.916 . . . . 0.0 108.691 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.48 -37.87 76.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.951 1.3 . . . . 0.0 111.694 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.15 -49.41 72.23 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.469 0.652 . . . . 0.0 109.531 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -43.11 96.04 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.949 0.9 . . . . 0.0 109.63 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.23 -50.88 71.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.85 -44.13 77.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.567 1.547 . . . . 0.0 111.411 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.57 -47.23 82.36 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 121.484 -0.76 . . . . 0.0 109.934 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -60.36 -46.72 94.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CZ ' HG22 ' A' ' 19' ' ' THR . 13.6 m-85 -63.22 -40.81 98.52 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 117.334 -1.317 . . . . 0.0 111.232 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -59.36 -47.09 86.75 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.051 1.75 . . . . 0.0 109.923 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -59.46 -42.11 91.27 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -67.9 -48.96 64.57 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 124.032 0.933 . . . . 0.0 111.112 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.28 84.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.008 -1.057 . . . . 0.0 109.577 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -32.72 74.27 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -63.48 -26.24 68.63 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.151 0.581 . . . . 0.0 109.96 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -98.14 -2.73 39.29 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.989 1.316 . . . . 0.0 109.724 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.47 33.25 44.11 Favored Glycine 0 C--N 1.338 0.639 0 C-N-CA 126.336 1.922 . . . . 0.0 112.352 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.87 120.93 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 125.286 1.434 . . . . 0.0 107.256 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -149.64 102.4 3.16 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' ' 57' ' ' GLU . . . -139.69 -152.14 5.8 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 123.649 0.642 . . . . 0.0 112.245 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -82.88 114.94 21.53 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -86.14 140.05 30.55 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 122.808 0.443 . . . . 0.0 109.906 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.6 p -127.48 -178.84 4.62 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.706 1.602 . . . . 0.0 109.1 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -155.41 133.86 11.77 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.313 -0.867 . . . . 0.0 109.43 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -119.61 85.98 2.47 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 129.339 3.056 . . . . 0.0 106.731 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -52.87 -37.96 61.05 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.188 1.395 . . . . 0.0 112.021 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.19 -26.96 5.15 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.675 1.99 . . . . 0.0 113.517 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.2 t -135.18 11.02 3.55 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.961 1.704 . . . . 0.0 109.826 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.252 4.6 ptpp? 40.66 58.66 2.34 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.928 2.091 . . . . 0.0 109.312 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.3 m -129.43 140.58 51.27 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.835 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -108.41 152.08 25.16 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.2 m -132.97 136.16 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 178.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.9 p -120.79 111.06 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 m -102.54 104.62 15.04 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.482 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . 16.5 tt0 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 125.624 1.57 . . . . 0.0 109.328 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ttt . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.07 177.96 15.25 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 127.655 2.55 . . . . 0.0 112.139 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -79.25 113.58 17.5 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -92.42 162.84 14.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -133.62 146.7 51.16 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 123.944 0.898 . . . . 0.0 111.251 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.46 HD21 HD21 ' A' ' 8' ' ' LEU . 60.6 tp -125.67 143.79 50.88 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.218 1.407 . . . . 0.0 108.652 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.6 mt -127.44 109.3 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 126.706 2.002 . . . . 0.0 106.847 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.46 HD21 HD21 ' A' ' 6' ' ' LEU . 90.9 mt -90.24 105.14 17.61 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -107.59 74.58 0.97 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 124.774 1.23 . . . . 0.0 108.353 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.41 ' HA2' ' CB ' ' A' ' 57' ' ' GLU . . . -97.38 152.02 19.9 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-O 123.186 1.437 . . . . 0.0 114.592 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -75.67 -9.63 58.75 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 126.183 1.793 . . . . 0.0 110.637 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.8 p -116.02 -49.3 2.71 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.775 1.23 . . . . 0.0 109.892 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.7 tp -136.69 158.86 43.46 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 125.546 1.538 . . . . 0.0 108.966 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.63 157.22 46.55 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.65 1.58 . . . . 0.0 107.435 176.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.18 177.16 46.51 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.57 1.081 . . . . 0.0 111.132 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -149.47 152.77 36.21 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.079 0.952 . . . . 0.0 109.759 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.1 t -156.85 171.61 20.1 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.508 1.123 . . . . 0.0 109.476 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 p -137.56 146.48 44.13 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.68 1.992 . . . . 0.0 108.051 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 t -145.79 151.74 38.42 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -99.92 119.33 38.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.61 144.58 51.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.369 0.604 . . . . 0.0 110.197 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.4 p -67.79 -41.42 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 114.509 -1.223 . . . . 0.0 112.16 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -139.88 163.23 33.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.572 1.149 . . . . 0.0 108.293 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.52 -37.28 67.7 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.584 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.89 75.72 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -58.29 -48.59 79.99 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.834 1.654 . . . . 0.0 109.26 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.35 -47.84 80.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.569 0.748 . . . . 0.0 110.742 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -61.26 -37.33 82.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.344 0.657 . . . . 0.0 111.619 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -70.91 -50.56 33.5 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.956 0.798 . . . . 0.0 110.315 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.6 t -55.93 -46.98 80.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 O-C-N 123.934 0.772 . . . . 0.0 109.217 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -67.93 -40.29 83.34 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 117.24 -1.362 . . . . 0.0 110.963 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -56.33 -48.31 77.0 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 120.564 1.529 . . . . 0.0 109.188 178.17 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.428 HE21 ' ND2' ' A' ' 36' ' ' ASN . 10.9 tp60 -61.64 -42.27 98.66 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -61.35 -47.46 85.79 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 121.373 0.606 . . . . 0.0 110.039 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.5 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.016 -1.053 . . . . 0.0 110.886 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.428 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -59.31 -33.34 70.99 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.639 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -67.89 -28.55 67.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.431 0.692 . . . . 0.0 109.447 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -91.43 -2.33 57.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.535 1.134 . . . . 0.0 109.166 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.35 38.56 70.76 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 125.135 1.35 . . . . 0.0 111.258 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.39 122.92 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -152.09 102.77 2.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.29 -153.98 6.08 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 124.358 0.98 . . . . 0.0 111.196 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -76.26 111.63 11.9 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.295 0.638 . . . . 0.0 109.695 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.492 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 59.2 m95 -82.71 132.37 35.18 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.3 p -127.49 169.23 13.9 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 128.028 2.531 . . . . 0.0 108.96 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.405 ' CZ ' ' HA ' ' A' ' 48' ' ' ASP . 56.5 t80 -143.74 144.45 31.83 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.352 1.061 . . . . 0.0 109.039 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.62 87.33 2.61 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.448 2.299 . . . . 0.0 105.31 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.405 ' HA ' ' CZ ' ' A' ' 46' ' ' TYR . 23.2 t70 -53.99 -34.76 60.73 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.951 1.301 . . . . 0.0 113.119 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.58 -25.6 39.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.317 2.247 . . . . 0.0 114.144 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -136.38 14.95 3.22 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.338 1.855 . . . . 0.0 108.619 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt 37.05 50.77 0.94 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 127.434 2.293 . . . . 0.0 110.029 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.4 m -116.42 157.22 25.46 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.708 1.203 . . . . 0.0 109.993 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -127.81 146.67 50.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 127.036 2.134 . . . . 0.0 108.155 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.7 m -135.51 128.17 30.88 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -109.64 109.85 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 98.03 9.22 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.059 0.544 . . . . 0.0 110.406 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.41 ' CB ' ' HA2' ' A' ' 10' ' ' GLY . 5.1 tt0 . . . . . 0 C--O 1.248 1.003 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.63 169.08 12.29 Favored Glycine 0 C--N 1.336 0.563 0 C-N-CA 124.994 1.283 . . . . 0.0 110.702 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 m -81.09 117.16 21.43 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -96.09 164.24 12.78 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 126.993 2.117 . . . . 0.0 107.046 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.59 146.64 49.79 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.189 0.996 . . . . 0.0 111.118 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 31.2 tp -122.06 138.1 54.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -119.2 109.0 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 126.276 1.83 . . . . 0.0 106.301 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.9 mt -87.41 105.18 17.1 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 104.913 -2.255 . . . . 0.0 104.913 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -108.4 74.47 0.93 Allowed 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.785 1.634 . . . . 0.0 107.521 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.86 156.96 19.27 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-O 123.465 1.592 . . . . 0.0 114.742 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -73.69 -18.99 60.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 113.677 -1.261 . . . . 0.0 111.458 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.8 p -122.09 -40.77 2.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.94 1.696 . . . . 0.0 113.572 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 38' ' ' ASN . 8.3 tt -132.59 139.01 47.61 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -178.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -135.1 161.05 36.43 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.441 1.096 . . . . 0.0 108.822 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.82 -178.63 45.63 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -145.0 146.11 31.78 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.3 t -149.48 161.07 42.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 p -131.83 147.75 52.5 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.411 HG22 ' CZ ' ' A' ' 31' ' ' PHE . 1.3 t -145.75 151.4 37.92 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -101.29 109.07 20.87 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.64 147.82 40.38 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.509 0.671 . . . . 0.0 109.933 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 m -67.73 -39.54 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.75 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.7 p30 -145.9 174.01 11.63 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 126.447 1.899 . . . . 0.0 108.861 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.86 76.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.082 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.79 -50.62 71.6 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 118.616 -0.707 . . . . 0.0 112.461 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.2 m -62.64 -44.54 96.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.11 70.71 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.673 0.669 . . . . 0.0 110.501 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.83 -45.88 82.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.361 1.064 . . . . 0.0 111.74 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -66.48 -50.2 64.1 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.267 0.627 . . . . 0.0 110.509 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -55.82 -48.58 78.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.411 ' CZ ' HG22 ' A' ' 19' ' ' THR . 16.2 m-85 -62.81 -43.57 98.45 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.787 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -54.47 -49.99 68.8 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 119.107 0.867 . . . . 0.0 110.052 179.045 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.474 HE21 ' ND2' ' A' ' 36' ' ' ASN . 18.1 tp60 -62.61 -41.86 99.23 Favored 'General case' 0 N--CA 1.436 -1.129 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -60.71 -46.06 91.84 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.323 0.582 . . . . 0.0 110.788 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.54 -48.65 71.75 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.225 -0.922 . . . . 0.0 110.684 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.474 ' ND2' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER -58.27 -32.56 68.51 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.193 0.597 . . . . 0.0 109.469 178.738 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -67.61 -32.83 73.83 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.406 ' HB3' HD22 ' A' ' 13' ' ' LEU . 24.8 m-80 -85.26 -2.4 58.01 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.761 0.825 . . . . 0.0 109.208 177.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.36 20.79 74.3 Favored Glycine 0 C--N 1.338 0.669 0 C-N-CA 125.875 1.702 . . . . 0.0 112.841 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -97.87 122.52 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -151.17 103.28 3.01 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.72 -155.07 6.34 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 124.525 1.059 . . . . 0.0 111.368 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -79.23 112.12 16.14 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.563 1.145 . . . . 0.0 108.704 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.52 ' CH2' ' HA ' ' A' ' 32' ' ' LYS . 58.9 m95 -86.71 132.58 33.83 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.237 1.415 . . . . 0.0 110.635 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.1 p -124.22 176.02 6.68 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.945 2.098 . . . . 0.0 110.888 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -144.99 134.66 23.39 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 121.226 -0.921 . . . . 0.0 109.6 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -122.57 83.34 2.1 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 127.563 2.345 . . . . 0.0 105.701 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -55.48 -33.43 63.68 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.666 0.787 . . . . 0.0 112.178 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.23 -28.28 7.37 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.494 1.917 . . . . 0.0 113.41 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 t -135.49 17.09 3.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.774 1.63 . . . . 0.0 108.366 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? 38.45 55.49 1.84 Allowed 'General case' 0 C--N 1.345 0.413 0 C-N-CA 127.748 2.419 . . . . 0.0 109.726 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.6 m -118.8 156.75 28.86 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 113.924 -1.489 . . . . 0.0 109.783 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -127.01 142.29 51.58 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 128.025 2.53 . . . . 0.0 106.55 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 m -132.04 136.49 47.27 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 p -117.79 113.41 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.68 99.41 9.67 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.051 0 C-N-CA 125.126 1.37 . . . . 0.0 109.205 179.266 . . . . . . . . 1 1 . 1 stop_ save_