data_1xfr_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 1xfr _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -50.95 -59.58 4.0 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 126.543 1.937 . . . . 0.0 111.138 -173.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.2 p -62.04 -45.05 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 124.381 1.072 . . . . 0.0 110.731 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -36.89 46.66 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -61.89 -50.2 73.17 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -54.8 -39.66 68.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 124.351 1.06 . . . . 0.0 112.497 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.49 -55.49 32.83 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -60.78 -32.54 71.87 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.612 0.765 . . . . 0.0 110.98 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.56 -54.93 15.76 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.919 1.688 . . . . 0.0 108.139 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -77.51 -23.92 50.15 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.592 -172.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -57.79 -56.89 16.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.118 1.367 . . . . 0.0 108.831 165.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.29 36.93 1.54 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.897 0.76 . . . . 0.0 114.013 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -80.07 -65.75 0.97 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.217 1.508 . . . . 0.0 109.422 170.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.77 14.54 0.1 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -172.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.3 tp -61.07 -46.11 91.98 Favored 'General case' 0 C--O 1.224 -0.258 0 O-C-N 120.768 -1.207 . . . . 0.0 110.605 -174.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -69.12 -30.0 68.18 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.27 -59.11 5.92 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 168.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.5 m -52.43 -38.22 58.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.974 0.91 . . . . 0.0 112.42 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -57.71 -56.02 27.36 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.531 1.133 . . . . 0.0 110.432 176.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.256 0.1 OUTLIER -63.09 -40.53 97.92 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 125.67 1.588 . . . . 0.0 109.058 -178.853 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -59.58 -51.51 69.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.016 1.326 . . . . 0.0 110.734 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.3 mtp -108.1 2.3 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.26 0.624 . . . . 0.0 111.512 -161.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.6 m 51.71 77.17 0.15 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 126.681 1.992 . . . . 0.0 109.355 -167.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.5 mt -112.47 136.39 52.03 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -73.69 169.54 17.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 122.666 1.222 . . . . 0.0 109.853 -173.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.77 -17.21 64.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.545 174.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -10.47 45.49 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.3 pt -80.59 -24.39 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 117.753 -1.118 . . . . 0.0 110.139 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -56.44 -40.81 75.39 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 119.486 1.039 . . . . 0.0 108.677 170.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.76 -56.63 19.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 115.916 -1.992 . . . . 0.0 109.287 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.99 -56.52 8.67 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.655 1.116 . . . . 0.0 107.991 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -60.95 -26.55 67.59 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -81.23 -43.73 18.81 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.697 1.599 . . . . 0.0 111.491 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -95.53 2.88 54.51 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.211 1.405 . . . . 0.0 112.941 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -48.16 -41.58 27.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.749 2.019 . . . . 0.0 110.503 -176.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -89.99 47.17 1.42 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.116 1.766 . . . . 0.0 112.569 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.64 166.78 11.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.63 1.172 . . . . 0.0 110.567 168.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -94.92 23.74 5.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.718 1.207 . . . . 0.0 113.98 -171.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.39 40.48 0.02 OUTLIER Glycine 0 CA--C 1.509 -0.293 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -91.31 141.79 28.4 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 167.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -126.48 137.45 53.39 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.3 mt -100.86 104.23 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 C-N-CA 129.98 3.312 . . . . 0.0 105.406 -161.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -124.35 -6.14 7.67 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.758 -173.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -74.85 108.08 7.36 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 120.453 1.479 . . . . 0.0 107.967 170.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -52.76 -27.87 19.73 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.936 1.244 . . . . 0.0 111.036 175.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -65.96 -26.1 67.42 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 117.726 -1.13 . . . . 0.0 111.22 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . 0.259 11.2 p -69.76 -41.15 75.57 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.253 1.388 . . . . 0.0 108.617 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.51 -56.44 7.25 Favored Glycine 0 C--N 1.341 0.856 0 C-N-CA 126.83 2.157 . . . . 0.0 112.226 169.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -34.98 75.48 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.419 -0.8 . . . . 0.0 113.07 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.02 79.43 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 119.705 1.139 . . . . 0.0 109.88 175.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.5 mt -52.56 -53.36 20.52 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.946 1.298 . . . . 0.0 108.336 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.7 ttp -58.54 -40.71 83.72 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.106 0.866 . . . . 0.0 112.304 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.4 t -63.16 -46.19 88.33 Favored 'General case' 0 C--N 1.338 0.097 0 O-C-N 121.606 -0.684 . . . . 0.0 110.609 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.5 mt -58.25 -50.17 74.54 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-O 118.65 -0.69 . . . . 0.0 109.15 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.6 m -50.35 -49.69 53.34 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.684 1.193 . . . . 0.0 112.043 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 m -52.94 -53.03 55.51 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.032 0.833 . . . . 0.0 111.028 169.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -65.2 -29.66 70.5 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.414 -0.803 . . . . 0.0 111.253 -171.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 mt -88.66 5.46 43.03 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.843 1.657 . . . . 0.0 110.824 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.85 38.01 1.7 Allowed 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.907 2.483 . . . . 0.0 112.815 168.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.7 mtt -93.01 17.81 10.17 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.094 -1.004 . . . . 0.0 112.053 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.2 mt . . . . . 0 CA--C 1.517 -0.296 0 CA-C-N 120.624 1.556 . . . . 0.0 109.704 -179.807 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 122.487 1.137 . . . . 0.0 113.25 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.56 76.99 1.47 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 170.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -55.88 -33.65 64.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.091 0.956 . . . . 0.0 110.651 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -47.76 -61.36 4.81 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.133 1.349 . . . . 0.0 112.555 166.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -74.84 -31.26 61.61 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.658 -0.907 . . . . 0.0 112.491 -175.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.25 -41.3 65.31 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.022 1.329 . . . . 0.0 111.05 168.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.6 ttm -69.27 -39.94 78.08 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 118.824 0.738 . . . . 0.0 111.558 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -56.18 -46.28 79.44 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 118.951 0.796 . . . . 0.0 109.001 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.34 -42.91 74.46 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.621 0.646 . . . . 0.0 110.179 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 -60.88 2.9 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 123.282 0.633 . . . . 0.0 110.007 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 mppp? -61.15 -34.79 75.58 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.472 0.578 . . . . 0.0 111.057 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -56.77 -36.27 69.64 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.246 1.819 . . . . 0.0 111.861 174.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -90.0 -5.27 56.83 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 117.761 -1.114 . . . . 0.0 113.295 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.19 1.98 20.23 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 119.593 1.088 . . . . 0.0 114.944 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.71 150.06 49.11 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 119.131 1.465 . . . . 0.0 112.249 -167.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.0 167.89 14.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 114.433 -1.258 . . . . 0.0 108.8 170.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -61.24 1.85 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.286 1.435 . . . . 0.0 111.612 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.2 m -62.12 -30.01 70.73 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 118.592 0.633 . . . . 0.0 109.501 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.9 ttp -60.1 -66.23 0.55 Allowed 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 171.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.84 -34.83 55.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 119.613 1.097 . . . . 0.0 112.804 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -48.89 72.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 117.767 -1.111 . . . . 0.0 110.873 172.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -50.29 -54.12 23.66 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 125.804 1.641 . . . . 0.0 110.559 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -56.97 -40.16 75.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 117.03 -1.462 . . . . 0.0 111.809 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.94 -47.2 77.08 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 CA-C-O 117.27 -1.347 . . . . 0.0 109.938 175.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.41 -36.18 77.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 120.907 1.685 . . . . 0.0 110.647 -172.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 58.4 mt -72.79 -47.68 48.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.144 0.977 . . . . 0.0 109.495 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.6 t -64.56 -56.57 15.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 124.332 1.053 . . . . 0.0 110.044 -177.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -51.12 -40.67 59.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.958 1.703 . . . . 0.0 108.417 173.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.4 -1.38 64.79 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 127.802 2.62 . . . . 0.0 115.153 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.9 m -122.32 -26.28 4.67 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.198 1.999 . . . . 0.0 111.729 170.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -21.49 3.14 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.94 2.155 . . . . 0.0 113.556 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.03 -46.31 2.09 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 120.456 -1.402 . . . . 0.0 110.081 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -46.09 68.51 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 124.546 1.138 . . . . 0.0 112.044 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.2 m -68.59 115.07 26.52 Favored Pre-proline 0 N--CA 1.447 -0.58 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -73.25 154.91 51.79 Favored 'Trans proline' 0 N--CA 1.445 -1.382 0 C-N-CA 121.815 1.677 . . . . 0.0 108.854 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -160.19 170.95 20.09 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 124.919 1.288 . . . . 0.0 108.226 166.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -171.9 0.57 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 168.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.48 -15.85 1.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.131 0.972 . . . . 0.0 112.787 163.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -74.19 92.23 2.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -171.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -54.23 -27.92 37.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.533 1.133 . . . . 0.0 113.943 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 50.3 m -61.58 -52.07 65.95 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 119.256 0.935 . . . . 0.0 109.146 171.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.7 mm -56.25 -52.24 53.84 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 125.496 1.518 . . . . 0.0 109.173 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -46.71 -66.95 0.33 Allowed 'General case' 0 N--CA 1.437 -1.125 0 C-N-CA 125.719 1.608 . . . . 0.0 111.692 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.8 m -58.86 -35.16 72.51 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 124.057 0.848 . . . . 0.0 111.939 -176.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -47.47 69.04 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.208 1.003 . . . . 0.0 110.392 172.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.97 -39.83 84.74 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 118.715 -1.047 . . . . 0.0 112.137 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.02 -43.21 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 118.674 1.237 . . . . 0.0 108.548 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.79 90.8 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.064 -1.022 . . . . 0.0 111.934 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 94.3 m -70.14 -39.03 75.62 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 118.21 -0.9 . . . . 0.0 112.517 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 16.1 p -65.76 -49.99 66.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.771 1.169 . . . . 0.0 108.904 173.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -54.32 -45.94 72.74 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.782 1.633 . . . . 0.0 111.014 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -47.9 -53.11 16.82 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.289 1.035 . . . . 0.0 110.128 175.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.01 -40.88 77.49 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.281 0.491 . . . . 0.0 110.563 -176.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -58.59 -42.66 88.57 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.98 0.809 . . . . 0.0 111.075 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.36 -41.68 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.219 0.607 . . . . 0.0 110.016 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -59.74 -52.6 64.81 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.564 173.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -53.77 -42.84 68.68 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.676 1.126 . . . . 0.0 111.89 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.99 -5.06 28.21 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.511 1.124 . . . . 0.0 112.632 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 36.3 t30 45.59 50.61 10.45 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 126.547 1.939 . . . . 0.0 110.846 -168.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 36.7 m0 -95.28 1.5 54.51 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.712 174.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 C-N-CA 125.809 1.643 . . . . 0.0 108.731 167.139 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.371 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.57 -42.05 67.15 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.748 1.219 . . . . 0.0 111.907 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.1 t -70.73 -34.77 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 123.706 0.802 . . . . 0.0 109.55 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -49.82 72.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.648 1.113 . . . . 0.0 108.631 172.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -57.69 -51.57 68.97 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 125.003 1.321 . . . . 0.0 110.275 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.48 -43.68 93.42 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 125.328 1.451 . . . . 0.0 112.232 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.29 -53.05 60.99 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 174.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -59.02 -35.96 74.16 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.18 0.592 . . . . 0.0 111.976 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.1 tp -65.75 -50.45 64.73 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 124.233 1.013 . . . . 0.0 108.728 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -77.45 -34.34 54.47 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.885 -172.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -53.79 -51.72 62.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.18 1.392 . . . . 0.0 109.45 167.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.41 1.88 18.01 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 117.654 -1.637 . . . . 0.0 115.588 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -58.51 -60.55 3.62 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.526 2.163 . . . . 0.0 110.616 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.29 8.56 0.43 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.308 1.043 . . . . 0.0 113.805 -175.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.83 -47.04 87.34 Favored 'General case' 0 C--O 1.221 -0.409 0 O-C-N 120.775 -1.203 . . . . 0.0 110.766 -173.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.19 -34.23 76.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.594 1.558 . . . . 0.0 111.05 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.49 -52.89 41.27 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 173.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.2 m -56.41 -37.74 70.58 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.34 1.056 . . . . 0.0 111.819 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -58.79 -39.18 80.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.145 1.378 . . . . 0.0 111.673 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -90.73 -31.0 16.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.795 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.01 -46.59 71.84 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.901 1.228 . . . . 0.0 110.269 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mtp -117.32 3.72 12.57 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.772 0.829 . . . . 0.0 111.544 -162.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m 50.38 73.85 0.25 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.614 1.565 . . . . 0.0 110.769 -171.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 mt -112.84 129.88 56.29 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.1 p -68.62 167.23 15.55 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 125.211 1.404 . . . . 0.0 110.742 -167.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.44 -10.75 59.87 Favored 'General case' 0 C--N 1.333 -0.115 0 O-C-N 121.006 -1.059 . . . . 0.0 111.476 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.03 -30.93 60.59 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.888 1.275 . . . . 0.0 111.498 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.8 pt -65.31 -23.56 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 O-C-N 121.756 -0.59 . . . . 0.0 112.047 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -62.88 -31.7 72.8 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.874 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.67 -11.96 59.92 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.013 -0.994 . . . . 0.0 112.359 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -74.65 -70.51 0.4 Allowed 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 158.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -52.63 -25.65 11.34 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -173.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -72.72 -58.23 3.51 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.706 1.602 . . . . 0.0 109.766 172.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -88.45 11.14 17.8 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.539 1.536 . . . . 0.0 112.028 -173.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -53.58 -35.82 61.24 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.843 -1.161 . . . . 0.0 109.268 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -100.04 31.14 3.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.354 1.462 . . . . 0.0 113.665 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -71.5 169.03 16.28 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 119.422 -2.048 . . . . 0.0 109.269 165.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -77.19 91.16 3.72 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 126.247 1.819 . . . . 0.0 106.796 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.41 12.92 77.57 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-O 118.443 -1.199 . . . . 0.0 114.28 169.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -60.09 139.69 57.33 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.735 1.767 . . . . 0.0 109.072 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -113.06 155.78 24.28 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-O 122.842 1.306 . . . . 0.0 110.647 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt -132.0 117.13 32.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 127.7 2.4 . . . . 0.0 105.469 -160.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.89 -17.09 1.09 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -53.2 110.39 0.54 Allowed 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 125.269 1.427 . . . . 0.0 108.684 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.498 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 32.9 ttp85 -57.13 -26.12 59.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.377 0.989 . . . . 0.0 109.637 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -58.08 -37.33 74.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.548 1.139 . . . . 0.0 111.812 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.1 p -72.94 -41.66 64.24 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -175.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.68 -42.51 96.3 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -37.3 74.18 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.511 0.656 . . . . 0.0 111.725 175.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.01 -48.06 79.38 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.187 0.903 . . . . 0.0 110.338 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.0 mt -55.0 -51.68 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 124.999 1.32 . . . . 0.0 109.165 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -59.44 -38.34 80.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.419 0.687 . . . . 0.0 112.063 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.2 t -64.99 -46.16 82.6 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.119 0.568 . . . . 0.0 110.789 173.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.14 -49.64 76.83 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.175 0.898 . . . . 0.0 109.597 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.0 m -53.94 -47.56 71.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.969 0.804 . . . . 0.0 111.418 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.8 m -52.77 -55.64 21.39 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.681 0.673 . . . . 0.0 110.913 173.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -64.83 -17.94 64.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.584 -0.698 . . . . 0.0 111.678 -171.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.2 mt -97.0 12.21 33.31 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.302 1.441 . . . . 0.0 110.83 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 53.03 34.42 17.04 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 129.132 2.973 . . . . 0.0 112.344 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.41 ' SD ' ' HA ' ' A' ' 73' ' ' ALA . 67.0 mtm -83.74 -1.61 54.53 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.187 -0.946 . . . . 0.0 112.351 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 C--O 1.235 0.29 0 CA-C-N 120.047 1.294 . . . . 0.0 108.374 171.362 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.639 0.733 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -66.53 93.09 0.22 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.075 1.35 . . . . 0.0 109.138 172.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -42.35 -50.02 5.09 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.533 1.133 . . . . 0.0 110.55 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.16 -71.04 0.71 Allowed Glycine 0 C--N 1.338 0.657 0 C-N-CA 125.374 1.464 . . . . 0.0 112.539 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -74.75 -25.86 59.38 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.391 -169.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.41 ' HA ' ' SD ' ' A' ' 61' ' ' MET . . . -56.76 -46.6 81.34 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.156 0.982 . . . . 0.0 110.413 168.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.4 ttm -69.86 -42.25 73.78 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.124 0.97 . . . . 0.0 110.929 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.65 -53.24 58.94 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 124.059 0.944 . . . . 0.0 109.275 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.15 -44.23 67.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.8 0.84 . . . . 0.0 110.314 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.74 -63.61 1.18 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.543 0.61 . . . . 0.0 111.267 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -27.66 68.04 Favored 'General case' 0 N--CA 1.461 0.088 0 O-C-N 120.96 -1.087 . . . . 0.0 113.067 -172.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -52.01 -44.06 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 126.852 2.061 . . . . 0.0 109.792 170.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.05 3.66 25.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.932 0.893 . . . . 0.0 112.154 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.04 25.44 44.79 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 120.726 -1.234 . . . . 0.0 112.508 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.08 151.99 46.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.26 -1.141 . . . . 0.0 110.734 175.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.39 159.16 34.46 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -49.22 74.27 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.606 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 87.6 m -55.98 -49.83 72.51 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 118.758 0.708 . . . . 0.0 109.852 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.1 ttt -56.23 -47.39 78.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.256 1.022 . . . . 0.0 111.015 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.85 85.67 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.832 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -49.96 75.34 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 172.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -63.27 -35.86 81.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.622 1.169 . . . . 0.0 113.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.4 mt -69.4 -4.42 18.36 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.603 1.161 . . . . 0.0 111.906 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.97 -50.46 8.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 117.468 -1.253 . . . . 0.0 109.525 159.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.06 -42.11 79.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 120.916 1.689 . . . . 0.0 111.445 -169.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 53.7 mt -70.7 -38.28 72.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.949 0.9 . . . . 0.0 109.749 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.5 t -73.5 -65.98 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.109 0 C-N-CA 125.101 1.36 . . . . 0.0 108.594 -175.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -47.69 -38.15 14.5 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.126 2.57 . . . . 0.0 109.59 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.82 -67.17 2.32 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 125.013 1.292 . . . . 0.0 110.413 173.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.6 m -54.97 -26.42 36.43 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 117.102 -1.427 . . . . 0.0 112.749 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -49.98 -28.7 7.27 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 122.368 2.349 . . . . 0.0 113.5 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.06 -29.49 2.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 124.682 1.193 . . . . 0.0 112.339 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.0 m -64.25 -13.97 52.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.885 0.874 . . . . 0.0 112.956 169.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.0 m -111.78 114.73 51.79 Favored Pre-proline 0 C--O 1.238 0.494 0 C-N-CA 124.231 1.012 . . . . 0.0 108.49 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.01 140.57 31.62 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.595 2.197 . . . . 0.0 108.16 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -157.99 164.7 36.52 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 170.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -59.78 165.27 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.533 0.682 . . . . 0.0 109.896 160.043 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -0.76 0.67 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.351 1.86 . . . . 0.0 113.252 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 104' ' ' ASN . 8.5 t0 -72.29 91.53 1.33 Allowed 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.543 1.137 . . . . 0.0 108.027 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.526 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -49.54 -30.22 8.15 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 126.614 1.966 . . . . 0.0 113.111 178.76 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 19.1 m -60.8 -57.15 13.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 173.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.1 mt -64.43 -43.76 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.925 0.89 . . . . 0.0 110.668 -175.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.526 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 32.1 t90 -53.36 -58.72 6.1 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 124.471 1.109 . . . . 0.0 110.831 174.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.2 m -62.58 -33.03 74.14 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.471 0.578 . . . . 0.0 111.071 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.498 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -50.86 -53.76 29.63 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 124.41 1.084 . . . . 0.0 109.846 167.11 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.19 -48.96 83.4 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-O 118.526 -1.152 . . . . 0.0 111.257 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.49 -49.82 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.935 1.294 . . . . 0.0 109.122 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.69 95.82 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.26 -0.9 . . . . 0.0 111.364 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.9 m -65.94 -47.4 74.79 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.482 0.713 . . . . 0.0 111.135 -176.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.0 p -63.12 -49.1 75.73 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 119.102 0.865 . . . . 0.0 110.017 176.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -52.62 -44.94 66.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.291 1.036 . . . . 0.0 111.028 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -49.78 -53.07 27.35 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.943 1.297 . . . . 0.0 110.393 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.45 -30.43 66.93 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.394 0.543 . . . . 0.0 112.296 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -72.28 -35.78 68.8 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.093 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 13.8 mm -58.65 -42.26 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 120.301 1.409 . . . . 0.0 109.832 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -59.33 -50.22 74.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.683 0.793 . . . . 0.0 109.919 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -63.93 -36.55 84.3 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.96 -1.087 . . . . 0.0 112.08 -178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 34.0 mt -74.18 -2.89 26.67 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.09 0.956 . . . . 0.0 111.841 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 59.9 t30 58.61 31.97 21.65 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.411 1.484 . . . . 0.0 111.385 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -94.03 12.0 27.82 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.09 1.356 . . . . 0.0 110.521 170.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 127.1 2.16 . . . . 0.0 108.378 176.518 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? . . . . . 0 CA--C 1.533 0.319 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -52.53 -53.62 43.74 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.716 2.006 . . . . 0.0 110.268 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 68.4 t -59.63 -49.02 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.7 tpt -53.45 -41.79 66.47 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 119.268 0.94 . . . . 0.0 110.17 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -59.45 -48.15 82.76 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 119.257 0.935 . . . . 0.0 109.872 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -55.5 -37.66 68.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.997 1.319 . . . . 0.0 111.294 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mp -67.03 -48.3 68.79 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.116 0.967 . . . . 0.0 110.227 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 t -56.48 -42.39 78.2 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.389 1.076 . . . . 0.0 109.94 176.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.47 -49.82 72.14 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 126.921 2.088 . . . . 0.0 107.216 -176.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.18 -41.45 66.99 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.702 -1.135 . . . . 0.0 112.661 -173.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.08 -43.74 82.41 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.36 14.34 8.98 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-O 117.193 -1.893 . . . . 0.0 115.623 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -54.25 -63.92 1.0 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 120.984 2.392 . . . . 0.0 109.419 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.73 25.99 0.33 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.687 1.195 . . . . 0.0 113.231 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.62 -51.15 69.66 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 120.622 -1.298 . . . . 0.0 110.743 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.61 -35.61 80.09 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.85 0.86 . . . . 0.0 111.626 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.62 -59.43 5.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 171.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.7 m -56.41 -31.87 64.31 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -63.56 -57.03 11.44 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.015 0.926 . . . . 0.0 110.087 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.78 -38.97 92.74 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 118.575 0.625 . . . . 0.0 111.18 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.81 -33.0 66.28 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.86 1.264 . . . . 0.0 112.576 -177.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.4 mtm -125.42 -2.38 7.46 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -170.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.1 m 50.18 83.54 0.04 OUTLIER 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.592 1.157 . . . . 0.0 109.8 -156.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.1 mt -108.63 151.17 26.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 163.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -75.45 161.02 29.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.114 -169.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.17 -18.54 61.25 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.766 -0.584 . . . . 0.0 109.426 171.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.08 -23.68 63.99 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.802 1.641 . . . . 0.0 113.2 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 pt -64.56 -23.63 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 CA-C-N 119.727 1.148 . . . . 0.0 111.113 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -55.55 -36.7 67.08 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.026 171.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.18 -40.48 78.09 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.005 0.922 . . . . 0.0 111.423 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.1 -43.77 77.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 118.68 0.673 . . . . 0.0 109.682 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -66.64 -42.33 86.86 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.97 0.908 . . . . 0.0 111.057 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.7 -39.41 91.38 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.33 1.052 . . . . 0.0 111.125 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -95.93 13.82 25.59 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.404 1.082 . . . . 0.0 111.979 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -61.01 -29.89 69.98 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 119.959 -1.713 . . . . 0.0 110.278 -177.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -105.16 28.62 7.09 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.028 1.331 . . . . 0.0 114.031 174.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -68.15 174.19 4.09 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 121.066 -1.021 . . . . 0.0 108.344 157.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.02 25.29 2.89 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -164.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.22 17.45 0.53 Allowed Glycine 0 CA--C 1.524 0.653 0 O-C-N 121.093 -1.004 . . . . 0.0 111.867 -171.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -54.49 139.24 38.28 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.022 0.929 . . . . 0.0 109.389 167.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -107.87 140.06 41.54 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 122.352 1.072 . . . . 0.0 112.985 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.9 mt -112.11 104.68 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 C-N-CA 128.87 2.868 . . . . 0.0 103.622 -161.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -131.98 -9.44 3.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.779 0.718 . . . . 0.0 112.839 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -64.27 104.3 0.74 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.685 1.194 . . . . 0.0 108.251 169.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.0 ttm105 -57.64 -29.74 64.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.966 0.907 . . . . 0.0 110.406 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.45 -24.03 66.37 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.388 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.1 p -71.01 -44.16 66.47 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 119.931 1.241 . . . . 0.0 108.805 174.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.4 -53.92 14.61 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.011 1.291 . . . . 0.0 111.246 171.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -31.07 69.33 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.572 -0.958 . . . . 0.0 113.452 177.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.63 93.03 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 119.639 1.109 . . . . 0.0 110.137 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.03 -46.91 87.91 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 C-N-CA 124.425 1.09 . . . . 0.0 108.711 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -60.21 -47.95 83.79 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.159 0.891 . . . . 0.0 111.956 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -58.54 -47.11 85.28 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.691 -0.631 . . . . 0.0 110.889 175.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.1 mt -60.18 -48.87 79.91 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.207 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.45 -43.63 55.23 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.73 1.15 . . . . 0.0 110.216 176.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 m -53.98 -54.43 39.15 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -72.44 -13.72 61.51 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.654 1.182 . . . . 0.0 113.928 -169.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -80.7 -0.67 39.33 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.405 1.457 . . . . 0.0 111.248 165.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 t30 58.56 30.31 19.63 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 127.668 2.387 . . . . 0.0 111.58 -164.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.8 mtp -79.94 2.95 21.52 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.497 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.45 -0.442 0 C-N-CA 125.06 1.344 . . . . 0.0 107.911 -172.497 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 C--O 1.234 0.251 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -95.34 95.02 8.19 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 128.399 2.68 . . . . 0.0 107.803 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -57.84 -28.51 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.153 0.981 . . . . 0.0 112.385 -173.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.32 -64.28 4.51 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 125.645 1.593 . . . . 0.0 113.414 169.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -65.5 -30.12 70.85 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.614 0.721 . . . . 0.0 109.791 -177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.28 -41.12 97.04 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.182 -0.949 . . . . 0.0 112.312 174.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 24.0 ttm -72.06 -34.65 68.9 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 119.298 0.954 . . . . 0.0 111.573 173.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -57.31 -48.13 79.73 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -51.72 -45.74 63.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.846 1.258 . . . . 0.0 111.144 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.34 -60.55 3.24 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.256 1.022 . . . . 0.0 110.13 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -31.5 69.95 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 119.219 -0.42 . . . . 0.0 110.219 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -56.65 -51.42 68.79 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 126.087 1.755 . . . . 0.0 111.376 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -72.49 -17.83 61.72 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 117.408 -1.282 . . . . 0.0 113.324 -171.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.33 8.51 19.26 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 120.155 1.343 . . . . 0.0 111.968 -171.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.26 167.13 12.88 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 118.881 1.341 . . . . 0.0 109.32 178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.83 167.51 10.88 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -63.08 1.33 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.912 1.685 . . . . 0.0 111.152 -174.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 83.3 m -67.5 -23.43 65.47 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.104 0.411 . . . . 0.0 110.415 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.2 ttt -61.78 -57.76 10.63 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 169.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.26 79.85 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 119.719 -1.863 . . . . 0.0 112.444 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -73.35 -21.88 60.43 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 117.59 -1.195 . . . . 0.0 112.07 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -65.57 -58.9 4.65 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 120.546 1.521 . . . . 0.0 109.109 166.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.69 -41.53 73.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 119.74 1.154 . . . . 0.0 111.968 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.55 -28.02 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 116.7 -1.619 . . . . 0.0 110.933 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.87 -50.07 70.27 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 122.492 2.405 . . . . 0.0 109.866 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.3 mt -67.38 -49.75 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 125.316 1.447 . . . . 0.0 108.29 -174.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.71 -51.8 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.764 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.41 ' CD2' ' HE3' ' A' ' 99' ' ' LYS . 13.9 t-160 -56.23 -35.75 67.71 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.62 -68.86 1.48 Allowed Glycine 0 C--N 1.341 0.818 0 C-N-CA 125.945 1.736 . . . . 0.0 112.0 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 33.2 m -46.6 -41.53 14.69 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 116.319 -1.801 . . . . 0.0 111.423 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -50.37 -28.98 8.99 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 121.869 2.122 . . . . 0.0 112.445 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.41 ' HE3' ' CD2' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -100.72 -58.92 1.8 Allowed 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 125.287 1.435 . . . . 0.0 109.541 175.027 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.02 -38.09 78.45 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.463 1.105 . . . . 0.0 112.315 -168.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.4 m -61.09 114.8 11.57 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.09 137.4 21.47 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 122.14 1.893 . . . . 0.0 107.359 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -145.87 -176.75 5.26 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.515 0.674 . . . . 0.0 110.794 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -119.1 176.4 5.32 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.807 1.643 . . . . 0.0 107.358 162.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -3.11 11.95 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.887 0.875 . . . . 0.0 112.599 -171.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.57 97.37 0.78 Allowed 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 166.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -59.59 -22.16 61.38 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.847 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 18.5 m -55.87 -53.51 55.91 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 118.093 -0.956 . . . . 0.0 109.148 168.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.7 mm -67.73 -48.07 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 C-N-CA 125.738 1.615 . . . . 0.0 110.957 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -50.38 -60.24 3.2 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 118.703 0.683 . . . . 0.0 110.72 175.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.7 m -64.34 -31.29 72.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.319 0.963 . . . . 0.0 111.382 -177.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -54.81 31.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.729 1.212 . . . . 0.0 110.122 171.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.27 -45.22 95.67 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.644 -0.983 . . . . 0.0 110.644 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.1 t -57.82 -47.38 86.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 123.641 0.777 . . . . 0.0 109.371 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.8 95.09 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.856 -0.528 . . . . 0.0 111.012 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.1 m -72.43 -33.54 67.17 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 117.885 -1.055 . . . . 0.0 112.118 -173.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.5 p -67.52 -54.29 21.32 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.55 1.523 . . . . 0.0 108.585 170.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -51.74 -47.93 63.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.924 1.29 . . . . 0.0 112.412 -178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -49.23 -50.65 37.55 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.458 1.027 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.53 68.33 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -70.6 -41.08 72.79 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.275 1.03 . . . . 0.0 110.535 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 8.0 mm -57.93 -39.59 72.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.736 0.814 . . . . 0.0 109.128 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -63.48 -39.93 95.75 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.224 0.609 . . . . 0.0 111.402 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -66.66 -35.19 79.56 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.772 -0.58 . . . . 0.0 111.024 176.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.82 -11.15 59.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.778 1.231 . . . . 0.0 111.36 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 66.54 22.85 10.52 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 128.543 2.737 . . . . 0.0 112.67 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -82.25 29.09 0.43 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.267 -1.521 . . . . 0.0 113.749 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 117.804 -1.093 . . . . 0.0 109.183 160.281 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 . . . . . 0 N--CA 1.469 0.484 0 CA-C-O 119.353 -0.356 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -51.47 -52.17 48.76 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.042 0.937 . . . . 0.0 110.54 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.1 t -58.72 -46.52 90.56 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 124.037 0.935 . . . . 0.0 109.837 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 tpt -64.69 -36.47 84.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 119.468 1.031 . . . . 0.0 110.751 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -66.78 -47.67 71.41 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.386 1.074 . . . . 0.0 110.043 171.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -63.24 -32.49 73.9 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 125.244 1.417 . . . . 0.0 112.586 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.06 -49.92 76.05 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.568 1.147 . . . . 0.0 108.021 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.9 m -62.83 -30.87 71.81 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -66.13 -49.59 66.92 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -81.83 -29.17 32.73 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.819 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.24 -55.62 32.68 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.955 0.902 . . . . 0.0 108.736 170.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.81 34.92 1.42 Allowed Glycine 0 CA--C 1.525 0.7 0 CA-C-O 118.686 -1.063 . . . . 0.0 113.611 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -66.01 -72.98 0.14 Allowed 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 119.753 1.776 . . . . 0.0 108.209 166.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.9 26.26 0.06 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.21 1.404 . . . . 0.0 114.205 -169.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.58 -48.03 76.49 Favored 'General case' 0 C--O 1.223 -0.291 0 O-C-N 120.515 -1.365 . . . . 0.0 110.122 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -27.15 69.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.636 1.107 . . . . 0.0 111.174 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.23 -57.29 7.9 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 172.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.2 m -55.41 -37.78 68.07 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.855 0.862 . . . . 0.0 110.987 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -57.26 -59.32 5.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.424 1.489 . . . . 0.0 110.507 175.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -45.46 88.37 Favored 'General case' 0 N--CA 1.422 -1.874 0 C-N-CA 125.246 1.419 . . . . 0.0 109.263 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -43.02 98.76 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.264 1.026 . . . . 0.0 111.487 -173.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 45.3 mtp -112.1 -1.84 15.18 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 124.108 0.963 . . . . 0.0 111.746 -164.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.1 m 51.63 86.05 0.04 OUTLIER 'General case' 0 C--O 1.237 0.425 0 C-N-CA 126.697 1.999 . . . . 0.0 110.157 -163.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.33 143.38 48.41 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 123.296 0.638 . . . . 0.0 109.583 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -81.34 161.91 23.63 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.084 1.354 . . . . 0.0 111.902 -167.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.35 -15.68 63.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.14 -0.975 . . . . 0.0 111.547 168.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.59 -16.58 26.51 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.534 -0.746 . . . . 0.0 112.996 168.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.66 -33.46 8.45 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 120.038 1.29 . . . . 0.0 110.791 168.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -68.08 -29.44 68.39 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.551 1.541 . . . . 0.0 109.014 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.7 -44.16 87.0 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.092 1.757 . . . . 0.0 111.869 163.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -63.04 -60.27 3.67 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 118.854 0.752 . . . . 0.0 109.179 -176.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -54.76 -25.86 30.56 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.127 1.771 . . . . 0.0 113.156 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -77.36 -57.66 3.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.357 0.663 . . . . 0.0 110.733 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -79.73 -0.02 32.47 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.714 1.205 . . . . 0.0 111.83 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -49.04 -44.57 41.74 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.201 1.4 . . . . 0.0 111.142 -167.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -83.15 29.79 0.47 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.599 1.56 . . . . 0.0 114.399 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -168.34 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.086 -1.634 . . . . 0.0 108.4 162.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -118.96 23.76 11.22 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.541 -1.35 . . . . 0.0 113.685 -168.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.97 30.35 0.03 OUTLIER Glycine 0 CA--C 1.523 0.564 0 C-N-CA 125.349 1.452 . . . . 0.0 110.298 -176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.41 126.42 28.2 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -94.42 138.66 32.09 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 122.149 0.976 . . . . 0.0 110.799 165.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.0 mt -106.78 115.71 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 104.234 -2.506 . . . . 0.0 104.234 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -126.61 -14.06 5.82 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.698 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -68.65 120.66 14.99 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.256 0.935 . . . . 0.0 109.444 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -54.33 -30.8 52.57 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.68 0.792 . . . . 0.0 109.868 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.63 -38.01 89.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.925 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 p -68.23 -44.72 75.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.445 1.02 . . . . 0.0 108.904 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.8 -46.0 54.9 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.334 0.968 . . . . 0.0 112.175 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -33.9 62.12 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.542 177.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.25 77.12 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.837 1.199 . . . . 0.0 109.75 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.1 mt -53.83 -51.5 44.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.485 1.514 . . . . 0.0 108.812 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.7 ttm -57.62 -44.45 85.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.148 0.579 . . . . 0.0 112.221 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.1 t -60.37 -48.13 83.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.546 -0.721 . . . . 0.0 109.985 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.41 -41.45 84.98 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.197 0.599 . . . . 0.0 110.301 176.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.3 m -56.98 -51.68 68.25 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.055 0.843 . . . . 0.0 111.645 172.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 m -50.34 -49.11 54.97 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.451 1.478 . . . . 0.0 111.26 171.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -66.69 -10.97 52.02 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.547 -0.739 . . . . 0.0 112.541 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 mt -114.76 19.56 15.86 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.654 1.181 . . . . 0.0 110.361 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.5 t30 47.49 48.39 16.78 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 127.418 2.287 . . . . 0.0 109.843 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -97.96 10.13 41.05 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.284 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--O 1.235 0.335 0 CA-C-N 120.149 1.341 . . . . 0.0 108.269 170.381 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 120.63 0.252 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -76.66 84.68 3.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.969 0.908 . . . . 0.0 109.17 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -56.09 -33.94 65.55 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.053 1.341 . . . . 0.0 113.024 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.65 -62.44 6.36 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -66.37 -24.3 66.47 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 124.21 1.004 . . . . 0.0 112.626 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.72 -51.16 44.48 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.922 1.289 . . . . 0.0 110.7 172.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.7 ttm -62.93 -36.75 84.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.063 0.545 . . . . 0.0 111.064 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -46.22 89.82 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 118.87 0.759 . . . . 0.0 109.967 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -56.49 -40.14 74.45 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.856 0.462 . . . . 0.0 111.026 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.99 -56.28 16.26 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.664 0.786 . . . . 0.0 110.659 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -29.24 69.64 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.466 -0.771 . . . . 0.0 111.984 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -54.86 -42.35 71.92 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 125.391 1.477 . . . . 0.0 111.414 170.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -78.66 -5.13 52.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.255 0.622 . . . . 0.0 112.174 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.32 28.51 57.82 Favored Glycine 0 CA--C 1.524 0.602 0 O-C-N 121.056 -1.027 . . . . 0.0 111.748 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 140.15 58.25 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.46 1.13 . . . . 0.0 108.822 165.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.5 162.34 15.53 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 123.493 0.495 . . . . 0.0 109.858 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.17 -53.96 50.43 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 118.775 -0.631 . . . . 0.0 111.454 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.8 m -62.88 -34.58 77.7 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 118.684 0.675 . . . . 0.0 110.803 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.1 ttt -59.89 -58.18 9.66 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.46 74.26 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.548 -0.72 . . . . 0.0 111.752 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -61.04 -46.19 91.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 117.89 -1.052 . . . . 0.0 109.151 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -57.55 -54.06 51.15 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.427 1.491 . . . . 0.0 111.31 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.52 -45.06 77.17 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 120.766 1.621 . . . . 0.0 112.642 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.45 -43.14 87.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 CA-C-N 119.909 1.231 . . . . 0.0 109.85 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.3 -43.82 79.29 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 121.108 1.776 . . . . 0.0 111.127 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.52 -48.39 35.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.884 1.274 . . . . 0.0 109.733 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.444 HG21 ' CE1' ' A' ' 118' ' ' PHE . 41.1 t -58.9 -59.89 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 119.82 1.191 . . . . 0.0 108.811 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -53.96 -25.4 20.52 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.336 1.855 . . . . 0.0 109.821 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -76.19 -62.43 2.6 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 126.64 2.067 . . . . 0.0 111.568 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.58 -29.64 64.62 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 116.434 -1.746 . . . . 0.0 110.296 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -49.29 -27.88 4.26 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 121.951 2.16 . . . . 0.0 113.522 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 -37.52 4.43 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.222 1.009 . . . . 0.0 111.318 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 m -68.75 -22.75 64.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.625 1.17 . . . . 0.0 113.561 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.5 m -91.81 116.39 66.37 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 118.595 0.634 . . . . 0.0 110.117 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.99 133.64 21.93 Favored 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 122.718 2.279 . . . . 0.0 109.052 174.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -161.42 176.73 10.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 129.098 2.959 . . . . 0.0 107.108 170.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.438 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 0.8 OUTLIER -74.02 -169.82 0.82 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.296 0.569 . . . . 0.0 109.706 172.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.8 -3.43 18.84 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.677 0.791 . . . . 0.0 112.8 162.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.438 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 50.2 t0 -71.06 93.56 1.04 Allowed 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -32.65 37.57 Favored 'General case' 0 C--O 1.227 -0.098 0 C-N-CA 124.896 1.279 . . . . 0.0 110.663 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 22.5 m -60.12 -54.73 42.5 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 119.474 1.034 . . . . 0.0 109.622 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.5 mt -64.91 -41.16 91.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 125.183 1.393 . . . . 0.0 109.685 -173.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -57.48 -61.62 2.36 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.082 1.753 . . . . 0.0 111.945 172.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.0 m -59.59 -34.03 72.21 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.848 1.204 . . . . 0.0 111.666 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.2 -50.89 63.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.074 0.95 . . . . 0.0 110.104 169.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.66 -53.43 43.7 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.0 t -52.62 -47.2 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.767 1.227 . . . . 0.0 109.474 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.21 -31.31 71.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.33 -0.856 . . . . 0.0 112.969 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 25.5 m -79.17 -48.71 13.77 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.293 1.037 . . . . 0.0 110.737 -175.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 8.8 p -59.77 -43.23 94.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.005 0.821 . . . . 0.0 109.991 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.444 ' CE1' HG21 ' A' ' 94' ' ' VAL . 89.1 t80 -59.39 -46.66 88.07 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.546 1.138 . . . . 0.0 110.817 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -48.1 -51.61 23.88 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.195 0.907 . . . . 0.0 111.083 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.62 -33.1 71.08 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.49 -43.96 95.76 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 120.838 -1.164 . . . . 0.0 109.297 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.9 mm -57.34 -42.43 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 119.012 0.824 . . . . 0.0 110.342 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -57.1 -52.17 66.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.695 0.398 . . . . 0.0 110.334 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -58.93 -46.34 88.2 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.311 -0.868 . . . . 0.0 112.168 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.05 -13.75 29.21 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.748 1.219 . . . . 0.0 110.62 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 60.66 50.6 5.51 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 128.859 2.864 . . . . 0.0 110.622 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -110.03 25.48 11.74 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.284 1.434 . . . . 0.0 111.281 -174.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.942 0 O-C-N 121.201 -0.937 . . . . 0.0 109.12 172.396 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -49.36 66.86 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 124.543 1.137 . . . . 0.0 110.664 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -65.46 -31.93 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.719 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -48.85 79.92 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.745 1.611 . . . . 0.0 109.212 174.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -56.49 -50.16 72.59 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.542 1.137 . . . . 0.0 110.247 176.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -65.45 -43.62 89.8 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.508 0.723 . . . . 0.0 112.066 -177.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.1 mt -59.33 -52.88 63.73 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 124.844 1.258 . . . . 0.0 108.753 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 p -66.41 -22.84 66.23 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.299 0.5 . . . . 0.0 112.238 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -73.23 -57.33 4.09 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 124.529 1.132 . . . . 0.0 108.098 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -64.28 -40.13 95.33 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.921 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.31 -48.14 65.58 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.998 0.919 . . . . 0.0 110.353 174.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.16 20.34 17.16 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-O 118.942 -0.921 . . . . 0.0 114.471 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -55.48 -65.35 0.61 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.817 1.809 . . . . 0.0 110.184 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.85 22.02 0.07 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.141 1.376 . . . . 0.0 112.676 -178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 tp -54.43 -51.09 66.05 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 119.857 1.208 . . . . 0.0 110.414 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -72.49 -34.69 67.84 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.526 -172.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -55.8 -58.34 8.25 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 170.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.6 m -55.94 -33.93 65.18 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.689 0.796 . . . . 0.0 113.134 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -60.91 -60.4 3.85 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -65.56 -39.3 91.52 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 118.955 0.798 . . . . 0.0 109.526 -174.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.55 -44.19 69.04 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.799 1.24 . . . . 0.0 112.447 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.0 mtm -112.77 8.03 18.72 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.316 1.046 . . . . 0.0 112.175 -172.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m 47.0 75.12 0.13 Allowed 'General case' 0 C--O 1.234 0.265 0 C-N-CA 126.123 1.769 . . . . 0.0 111.888 -166.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -112.08 164.32 13.28 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.7 p -104.14 173.25 6.38 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -157.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -28.85 64.71 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 115.617 -2.135 . . . . 0.0 110.367 171.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.37 10.51 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 124.903 1.281 . . . . 0.0 113.367 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.7 pt -65.47 -20.55 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 118.313 -0.851 . . . . 0.0 112.103 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -60.76 -34.47 74.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 120.301 1.41 . . . . 0.0 110.211 167.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -35.06 66.95 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -174.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -60.72 -63.47 1.29 Allowed 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 119.201 0.91 . . . . 0.0 108.931 169.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -63.53 -29.81 71.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -168.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -66.68 -58.94 4.09 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.465 1.506 . . . . 0.0 110.439 167.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -80.72 9.79 5.76 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.819 1.248 . . . . 0.0 112.305 -175.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -58.11 -34.9 70.69 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 119.975 -1.703 . . . . 0.0 108.245 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -101.79 19.79 17.55 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.45 2.3 . . . . 0.0 112.251 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -70.61 176.39 4.17 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-O 122.964 1.364 . . . . 0.0 109.686 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.06 32.28 0.14 Allowed 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 127.811 2.444 . . . . 0.0 116.103 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.01 2.76 4.61 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.32 0.962 . . . . 0.0 112.828 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -46.07 150.57 0.57 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.368 1.867 . . . . 0.0 112.538 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -111.19 136.18 50.64 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 122.194 0.997 . . . . 0.0 112.872 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.8 mt -107.45 104.43 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -129.67 2.3 4.96 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.796 0.725 . . . . 0.0 112.915 174.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -65.24 125.08 23.91 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.718 0.807 . . . . 0.0 109.821 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -67.03 -29.24 68.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.749 -1.22 . . . . 0.0 109.518 171.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -61.46 -37.26 82.92 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.4 p -73.82 -39.99 63.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.2 -45.82 43.49 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.887 1.232 . . . . 0.0 111.444 171.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -36.66 69.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 178.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.22 86.05 Favored 'General case' 0 CA--C 1.526 0.029 0 CA-C-N 118.995 0.816 . . . . 0.0 109.862 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.8 mt -51.19 -55.1 8.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.06 -41.15 96.07 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -176.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.8 t -59.09 -46.59 87.91 Favored 'General case' 0 CA--C 1.523 -0.066 0 O-C-N 121.669 -0.644 . . . . 0.0 110.304 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.3 -38.76 92.19 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 117.535 -1.221 . . . . 0.0 109.275 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -52.4 -51.68 57.8 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 120.642 1.565 . . . . 0.0 110.92 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 m -52.0 -59.79 3.94 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.693 0.678 . . . . 0.0 110.685 172.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -66.33 -16.56 64.15 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -170.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.2 mt -86.72 -2.86 58.87 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 120.927 -1.108 . . . . 0.0 112.275 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 42.25 81.76 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.543 1.937 . . . . 0.0 109.542 -151.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.9 mtp -122.97 6.65 9.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.773 169.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.8 mt . . . . . 0 N--CA 1.454 -0.234 0 CA-C-N 119.256 0.934 . . . . 0.0 108.807 177.103 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 121.002 0.429 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -84.66 108.6 17.47 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.592 0.757 . . . . 0.0 110.268 173.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -58.66 -36.21 73.8 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 120.54 -1.35 . . . . 0.0 113.96 -174.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.78 -67.28 2.12 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -56.92 -33.55 67.08 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -171.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.11 78.05 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.011 0.924 . . . . 0.0 109.938 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 42.0 ttm -69.55 -29.92 67.6 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 121.842 -0.536 . . . . 0.0 112.092 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.25 -42.11 99.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.598 1.09 . . . . 0.0 109.406 170.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -58.69 -40.09 82.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.25 0.932 . . . . 0.0 110.255 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.6 -59.16 4.61 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 123.726 0.81 . . . . 0.0 111.207 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -35.39 80.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.688 -0.672 . . . . 0.0 110.241 -175.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -46.47 -55.82 6.89 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.627 1.171 . . . . 0.0 111.147 167.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -75.26 -1.62 24.33 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.184 -0.912 . . . . 0.0 112.89 -174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.55 10.18 44.83 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 119.805 1.184 . . . . 0.0 113.078 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.98 149.07 50.44 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.567 1.184 . . . . 0.0 111.261 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.76 165.85 23.12 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 176.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.29 -54.33 18.23 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.515 -0.74 . . . . 0.0 111.391 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 61.2 m -58.51 -38.01 76.81 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 118.729 0.695 . . . . 0.0 109.76 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 9.6 ttt -57.54 -60.32 3.83 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.734 0.814 . . . . 0.0 108.91 173.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.47 74.11 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 119.044 -0.503 . . . . 0.0 111.749 -171.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.97 -39.95 68.97 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 117.05 -1.452 . . . . 0.0 110.536 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -49.9 -57.38 7.57 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 120.113 1.324 . . . . 0.0 109.505 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -48.26 72.6 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 117.114 -1.422 . . . . 0.0 112.932 177.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.69 -35.15 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 120.034 1.288 . . . . 0.0 111.023 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -64.87 -47.69 76.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 120.366 1.439 . . . . 0.0 109.009 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.3 mt -61.02 -55.64 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 124.17 0.988 . . . . 0.0 108.441 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.7 t -58.16 -52.43 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.437 1.095 . . . . 0.0 109.817 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -62.91 -43.25 99.29 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 -168.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.19 -60.67 7.82 Favored Glycine 0 C--N 1.343 0.942 0 C-N-CA 125.17 1.367 . . . . 0.0 110.271 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.2 m -55.18 -35.48 64.84 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 125.279 1.432 . . . . 0.0 112.713 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.7 -17.65 9.63 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 121.995 2.179 . . . . 0.0 113.118 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -113.03 -46.15 3.12 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.411 1.485 . . . . 0.0 110.678 171.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 m -57.05 -48.35 78.74 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.536 1.534 . . . . 0.0 112.331 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.0 m -62.11 124.17 81.0 Favored Pre-proline 0 N--CA 1.447 -0.6 0 C-N-CA 124.248 1.019 . . . . 0.0 110.31 -175.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.83 148.57 41.22 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.087 2.525 . . . . 0.0 109.872 165.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -151.33 -173.7 4.59 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.276 1.83 . . . . 0.0 108.553 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -109.29 -177.25 3.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 152.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -22.08 9.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 125.456 1.502 . . . . 0.0 113.056 -178.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -61.95 96.26 0.07 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.882 1.273 . . . . 0.0 109.521 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.408 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -48.11 -29.98 4.11 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.696 1.198 . . . . 0.0 111.567 168.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 38.8 m -61.1 -52.47 64.77 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.783 1.174 . . . . 0.0 109.594 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.9 mm -62.06 -49.31 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.671 1.588 . . . . 0.0 108.772 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.408 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 39.4 t90 -49.19 -58.55 4.81 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 125.73 1.612 . . . . 0.0 110.991 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.7 m -62.11 -37.85 86.66 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 119.5 -0.286 . . . . 0.0 111.142 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -46.76 69.12 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.412 1.085 . . . . 0.0 109.766 171.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.33 -49.28 62.03 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 123.978 0.799 . . . . 0.0 111.608 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.55 -44.3 84.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 118.117 0.958 . . . . 0.0 109.589 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.6 -33.26 75.5 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.615 -1.303 . . . . 0.0 111.751 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 m -80.18 -29.82 38.71 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 117.652 -1.166 . . . . 0.0 112.963 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.71 -54.46 31.26 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.903 1.683 . . . . 0.0 107.439 164.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -54.02 -44.11 70.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.847 1.659 . . . . 0.0 112.487 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -43.22 -60.94 1.48 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.818 1.247 . . . . 0.0 109.786 172.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.47 -31.86 68.22 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 123.102 0.251 . . . . 0.0 111.574 -171.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.57 -46.85 74.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.666 1.186 . . . . 0.0 111.152 172.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 13.9 mm -56.0 -42.93 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 120.655 1.57 . . . . 0.0 110.13 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -62.37 -42.91 99.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.35 0.66 . . . . 0.0 110.179 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -44.88 90.47 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 120.327 -1.483 . . . . 0.0 108.791 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.45 -10.7 59.84 Favored 'General case' 0 N--CA 1.438 -1.07 0 O-C-N 124.809 1.318 . . . . 0.0 110.552 -174.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.7 t30 69.77 28.99 4.23 Favored 'General case' 0 C--N 1.342 0.278 0 C-N-CA 127.802 2.441 . . . . 0.0 111.818 -176.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -94.74 42.43 1.09 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.508 1.123 . . . . 0.0 110.891 -173.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 131.169 3.787 . . . . 0.0 104.079 -146.614 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -52.87 -56.36 16.4 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.611 1.164 . . . . 0.0 111.83 -165.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.9 t -69.99 -25.71 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 123.546 0.738 . . . . 0.0 110.509 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -49.66 72.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 119.674 1.124 . . . . 0.0 109.592 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -54.51 -55.91 24.27 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -59.85 -37.16 78.47 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 123.866 0.867 . . . . 0.0 112.618 -173.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.44 -55.11 34.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 124.446 1.098 . . . . 0.0 109.369 174.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 m -62.83 -29.57 70.83 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.53 -46.95 68.19 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.593 1.557 . . . . 0.0 108.158 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -77.1 -32.36 56.53 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.729 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.53 -49.59 67.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.744 1.218 . . . . 0.0 108.363 167.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.06 7.32 3.26 Favored Glycine 0 CA--C 1.537 1.46 0 CA-C-O 118.377 -1.235 . . . . 0.0 115.847 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -65.58 -40.27 92.54 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.599 2.699 . . . . 0.0 111.274 175.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.34 11.08 9.03 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.98 1.264 . . . . 0.0 113.737 -178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.13 -42.96 83.59 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 120.91 -1.119 . . . . 0.0 111.333 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.35 -28.99 65.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.316 0.646 . . . . 0.0 110.677 -172.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.6 -60.66 3.44 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.897 1.279 . . . . 0.0 108.193 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.3 m -54.31 -36.13 63.39 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.955 0.902 . . . . 0.0 110.872 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -61.37 -52.36 64.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 120.432 -1.417 . . . . 0.0 111.058 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 tttm -59.8 -50.15 74.94 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.54 -60.85 2.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.713 0.805 . . . . 0.0 110.862 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.1 mtp -94.58 4.5 53.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.381 0.673 . . . . 0.0 111.274 -161.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.5 m 46.76 87.86 0.02 OUTLIER 'General case' 0 C--O 1.236 0.382 0 C-N-CA 125.481 1.512 . . . . 0.0 109.806 -159.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.1 mt -115.73 143.81 44.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.447 0.567 . . . . 0.0 110.317 173.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -76.78 -171.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 122.868 1.318 . . . . 0.0 112.713 -173.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.13 -9.97 49.04 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 121.086 -1.009 . . . . 0.0 111.868 167.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.91 -24.68 67.6 Favored 'General case' 0 C--O 1.228 -0.057 0 CA-C-N 119.029 0.831 . . . . 0.0 111.287 177.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.66 -36.31 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 171.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -70.98 -16.87 62.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 123.72 0.808 . . . . 0.0 110.277 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.47 -51.71 11.24 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -55.34 -59.38 4.88 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -58.36 -30.63 66.91 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.63 -1.294 . . . . 0.0 113.699 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -69.83 -42.1 74.07 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.356 0.98 . . . . 0.0 111.277 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -105.18 0.39 27.29 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 125.25 1.42 . . . . 0.0 113.803 -167.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -45.61 -42.83 11.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 129.406 3.082 . . . . 0.0 111.651 -169.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -90.1 45.25 1.25 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.572 1.149 . . . . 0.0 113.112 173.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -81.93 172.44 13.28 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.409 1.084 . . . . 0.0 108.572 166.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -49.79 83.76 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 127.82 2.448 . . . . 0.0 112.069 163.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.63 29.48 7.74 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 117.406 -1.774 . . . . 0.0 115.0 174.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -48.31 147.2 2.4 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 119.819 1.809 . . . . 0.0 108.545 172.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -118.22 133.62 55.73 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 122.255 1.026 . . . . 0.0 109.723 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.3 mt -97.85 124.77 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 104.113 -2.551 . . . . 0.0 104.113 -163.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -124.25 -32.06 3.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -172.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.13 110.16 0.89 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.221 1.009 . . . . 0.0 110.235 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -54.56 -28.23 44.43 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.279 -0.888 . . . . 0.0 111.144 173.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.34 -31.7 73.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 117.495 -1.241 . . . . 0.0 112.38 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -41.3 73.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 120.347 1.431 . . . . 0.0 108.522 -178.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.92 43.36 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.72 1.152 . . . . 0.0 111.613 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -38.03 89.3 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.82 -0.812 . . . . 0.0 113.03 175.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.98 91.89 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.681 0.673 . . . . 0.0 109.976 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.42 -42.03 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.29 1.436 . . . . 0.0 109.562 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -62.07 -47.6 83.94 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.516 0.727 . . . . 0.0 111.064 176.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.33 -48.85 80.0 Favored 'General case' 0 N--CA 1.461 0.106 0 O-C-N 121.914 -0.491 . . . . 0.0 110.648 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.7 mt -54.82 -47.76 73.68 Favored 'General case' 0 C--O 1.227 -0.11 0 C-N-CA 123.823 0.849 . . . . 0.0 109.796 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -47.87 -58.67 4.08 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.887 0.875 . . . . 0.0 111.693 173.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -39.73 91.26 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 119.961 -1.712 . . . . 0.0 111.07 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -58.3 -43.51 88.12 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.421 1.088 . . . . 0.0 109.885 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -79.86 -12.24 59.76 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 126.419 1.888 . . . . 0.0 111.25 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t30 75.93 74.69 0.09 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 129.254 3.022 . . . . 0.0 109.297 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 23.0 mtp -131.12 16.63 5.08 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.665 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 121.024 1.738 . . . . 0.0 107.957 178.628 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -85.56 91.49 8.27 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.403 -0.811 . . . . 0.0 109.922 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -58.92 -36.3 74.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 123.996 0.918 . . . . 0.0 112.874 -173.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.14 -68.82 1.5 Allowed Glycine 0 CA--C 1.528 0.888 0 CA-C-O 119.424 -0.653 . . . . 0.0 111.571 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -51.18 -38.02 49.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.264 1.032 . . . . 0.0 112.473 174.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.72 93.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.076 0.853 . . . . 0.0 111.483 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.5 ttm -68.69 -40.71 79.94 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.177 0.991 . . . . 0.0 110.819 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -49.13 63.68 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.922 1.689 . . . . 0.0 109.459 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.66 -43.5 89.86 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.536 1.134 . . . . 0.0 111.306 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.93 -56.57 19.52 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.225 0.466 . . . . 0.0 110.336 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -29.56 70.85 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.577 0.751 . . . . 0.0 111.813 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -59.16 -40.43 85.57 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.946 1.298 . . . . 0.0 111.28 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -81.11 -17.24 50.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 117.961 0.346 . . . . 0.0 111.298 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.92 20.78 10.91 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.45 1.024 . . . . 0.0 112.714 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.71 147.69 52.97 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.798 1.299 . . . . 0.0 109.345 170.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.96 157.86 37.48 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -177.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -61.25 -49.16 78.23 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.41 1.484 . . . . 0.0 112.736 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -58.59 -43.84 89.65 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.6 ttt -59.31 -56.97 15.34 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.518 0.727 . . . . 0.0 109.303 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.29 68.44 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.193 -0.942 . . . . 0.0 112.729 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -68.98 -40.35 78.86 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 117.794 -1.098 . . . . 0.0 110.616 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -54.28 -48.74 70.89 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.923 1.238 . . . . 0.0 112.229 171.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.9 -54.78 25.4 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.645 1.111 . . . . 0.0 110.461 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.38 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 CA-C-O 117.093 -1.432 . . . . 0.0 109.926 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.01 -43.62 95.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 120.59 1.541 . . . . 0.0 110.617 -175.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.98 -42.51 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.7 t -62.81 -54.03 39.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.284 1.034 . . . . 0.0 109.807 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -53.17 -37.7 62.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.578 1.951 . . . . 0.0 109.092 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.69 4.74 27.14 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 127.543 2.497 . . . . 0.0 114.657 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.4 m -132.12 -33.15 1.35 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.728 1.764 . . . . 0.0 111.538 174.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.56 -19.99 11.87 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 121.793 2.088 . . . . 0.0 113.691 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -113.83 -48.53 2.91 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 120.463 -1.398 . . . . 0.0 109.688 171.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.4 m -50.43 -53.2 31.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.287 2.235 . . . . 0.0 113.165 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.2 m -59.21 123.3 69.15 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 124.653 1.181 . . . . 0.0 110.189 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.44 134.68 21.05 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.677 2.918 . . . . 0.0 110.548 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -148.18 166.1 28.92 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.452 0.701 . . . . 0.0 110.794 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.423 HD22 ' HB2' ' A' ' 106' ' ' ASP . 2.7 p30 -90.61 -176.62 4.79 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.116 1.767 . . . . 0.0 109.243 162.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -12.57 47.83 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.67 1.188 . . . . 0.0 112.561 -176.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.423 ' HB2' HD22 ' A' ' 104' ' ' ASN . 0.5 OUTLIER -63.52 97.91 0.16 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 172.06 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -53.06 -26.61 16.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.056 167.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 45.1 m -61.86 -54.28 44.23 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 119.904 1.229 . . . . 0.0 110.512 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.28 -38.47 82.69 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 C-N-CA 125.073 1.349 . . . . 0.0 108.804 -171.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -50.16 -72.97 0.04 OUTLIER 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 126.234 1.813 . . . . 0.0 110.706 168.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.3 m -59.66 -29.49 68.09 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.451 0.569 . . . . 0.0 111.694 -173.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.42 -57.38 7.07 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.096 0.958 . . . . 0.0 110.419 168.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.16 -33.3 69.18 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-O 118.553 -1.137 . . . . 0.0 112.167 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.97 -34.28 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 119.155 1.477 . . . . 0.0 109.452 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.63 -39.89 64.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.711 -1.243 . . . . 0.0 110.362 171.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.1 m -68.03 -42.86 79.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.081 0.855 . . . . 0.0 111.638 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 26.4 p -57.77 -54.18 49.78 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 119.554 1.07 . . . . 0.0 109.344 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.42 -42.74 74.55 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.59 1.956 . . . . 0.0 111.186 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.93 -51.96 64.47 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.251 176.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.52 -41.76 63.75 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.916 0.78 . . . . 0.0 111.167 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -62.07 -43.39 98.94 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 121.409 -0.807 . . . . 0.0 112.349 177.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.04 -41.1 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.385 0.993 . . . . 0.0 110.146 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -58.97 -46.29 88.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -63.37 -43.26 98.13 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.145 -0.972 . . . . 0.0 111.136 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.08 -15.3 63.63 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.927 1.291 . . . . 0.0 112.61 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.61 41.35 2.32 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.042 1.337 . . . . 0.0 110.608 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 23.7 m0 -113.11 29.88 7.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.196 0.999 . . . . 0.0 110.709 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 C-N-CA 125.461 1.504 . . . . 0.0 109.193 178.685 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.222 -0.344 0 N-CA-C 111.525 0.195 . . . . 0.0 111.525 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -41.75 -55.6 2.95 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 128.11 2.564 . . . . 0.0 112.916 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -85.73 -34.84 8.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 O-C-N 122.101 -0.375 . . . . 0.0 110.75 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -43.96 74.37 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.069 0.948 . . . . 0.0 111.607 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -57.34 -53.45 57.93 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.26 1.024 . . . . 0.0 110.455 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -62.23 -37.79 86.72 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.533 1.133 . . . . 0.0 112.02 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.93 -54.39 47.43 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 124.275 1.03 . . . . 0.0 108.887 176.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -71.32 -9.85 58.8 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.98 -0.533 . . . . 0.0 112.101 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -84.92 -53.94 4.99 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.525 1.13 . . . . 0.0 109.325 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.24 -27.97 69.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.677 1.191 . . . . 0.0 111.369 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -53.68 -45.88 70.46 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.603 0.761 . . . . 0.0 110.699 168.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.35 7.27 57.72 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-O 118.397 -1.224 . . . . 0.0 115.011 -176.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -58.84 -29.74 67.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 120.125 1.963 . . . . 0.0 112.743 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.65 14.04 33.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.301 1.04 . . . . 0.0 113.185 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.55 -51.41 69.56 Favored 'General case' 0 C--O 1.228 -0.077 0 O-C-N 121.091 -1.006 . . . . 0.0 111.346 -173.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -66.4 -28.5 68.67 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.24 1.016 . . . . 0.0 111.065 -175.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.68 -54.47 27.05 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -31.41 70.78 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -55.47 -48.98 73.69 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 121.642 -0.661 . . . . 0.0 109.385 170.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -75.58 -20.37 58.66 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.35 0.977 . . . . 0.0 113.356 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.2 -71.48 0.26 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.334 0.97 . . . . 0.0 109.005 172.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.5 mtm -86.78 -0.8 57.04 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.238 1.415 . . . . 0.0 110.984 -165.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 m 61.19 68.64 0.72 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.82 2.448 . . . . 0.0 112.546 -176.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.8 mt -110.27 151.13 27.74 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -96.19 174.08 7.08 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.448 0.699 . . . . 0.0 110.208 -155.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -15.71 62.92 Favored 'General case' 0 N--CA 1.439 -0.996 0 O-C-N 120.825 -1.172 . . . . 0.0 111.657 172.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.27 -34.39 73.68 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 118.918 -0.563 . . . . 0.0 110.195 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 pt -67.8 -29.6 45.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 119.265 0.939 . . . . 0.0 111.277 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -61.39 -33.65 74.02 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 119.836 1.198 . . . . 0.0 108.972 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -45.09 74.56 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 175.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -47.45 84.59 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 119.404 1.002 . . . . 0.0 109.777 -175.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -65.12 -44.7 87.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.876 1.27 . . . . 0.0 110.898 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -63.18 -54.35 38.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 119.025 0.829 . . . . 0.0 110.069 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -76.49 1.04 17.71 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 117.72 -1.133 . . . . 0.0 112.064 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -51.13 -41.81 60.32 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 121.533 1.969 . . . . 0.0 110.495 -172.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -82.61 8.07 12.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.354 1.462 . . . . 0.0 114.638 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -61.44 166.51 3.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 120.553 1.524 . . . . 0.0 108.966 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.1 40.33 0.91 Allowed 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.725 1.21 . . . . 0.0 113.811 -169.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.83 12.54 0.47 Allowed Glycine 0 CA--C 1.525 0.696 0 CA-C-O 118.602 -1.11 . . . . 0.0 113.849 171.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -55.23 140.9 37.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.47 1.135 . . . . 0.0 109.938 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.03 134.63 50.65 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.093 0.957 . . . . 0.0 110.619 171.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.5 mt -96.69 112.71 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 -176.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -128.17 4.48 5.82 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 174.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -65.41 106.29 1.36 Allowed 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 166.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -57.71 -27.62 63.1 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.018 -1.051 . . . . 0.0 109.825 166.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.68 -36.02 71.38 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.967 174.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 p -69.7 -40.5 76.28 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 120.323 1.419 . . . . 0.0 108.247 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.91 -47.8 52.94 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 118.962 0.801 . . . . 0.0 111.24 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.56 -35.65 73.2 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.876 -0.779 . . . . 0.0 112.928 176.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.24 -50.9 71.17 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.165 0.893 . . . . 0.0 110.766 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.92 -46.31 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 127.465 2.306 . . . . 0.0 108.483 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 10.8 tmm? -60.42 -51.26 70.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.757 0.708 . . . . 0.0 110.805 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.9 t -51.22 -51.8 50.48 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 123.363 0.665 . . . . 0.0 110.078 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.8 mt -53.82 -54.4 38.9 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.347 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.8 m -52.53 -48.77 65.87 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 119.751 1.16 . . . . 0.0 112.127 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -41.96 89.96 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.025 0.83 . . . . 0.0 111.45 176.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -60.18 -35.17 74.77 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.812 -1.18 . . . . 0.0 111.086 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -76.17 -4.54 42.22 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.064 0.847 . . . . 0.0 112.395 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t30 62.54 41.67 9.4 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 129.114 2.966 . . . . 0.0 112.342 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.6 mtt -88.5 -3.32 58.84 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.971 -1.081 . . . . 0.0 112.821 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 69.8 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 171.605 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 tp . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -76.63 91.91 3.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 121.281 -0.887 . . . . 0.0 109.172 165.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -53.65 -39.06 64.71 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.049 0.939 . . . . 0.0 111.9 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.88 -70.29 1.02 Allowed Glycine 0 CA--C 1.523 0.58 0 C-N-CA 126.245 1.879 . . . . 0.0 111.734 171.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.9 -43.05 65.91 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.442 1.121 . . . . 0.0 111.136 -177.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.65 -52.94 58.35 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.411 1.084 . . . . 0.0 111.275 174.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.5 ttm -68.77 -38.01 79.74 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.912 -0.492 . . . . 0.0 111.351 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.48 -53.93 51.72 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.598 1.159 . . . . 0.0 108.439 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -53.76 -45.97 70.8 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.531 1.133 . . . . 0.0 110.804 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.45 -65.54 0.61 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.476 0.311 . . . . 0.0 110.231 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -54.95 -41.89 71.67 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.599 0.76 . . . . 0.0 110.058 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -50.29 -47.06 55.65 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 127.43 2.292 . . . . 0.0 113.812 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -73.47 -18.31 61.13 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.541 -0.724 . . . . 0.0 111.371 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.97 4.11 8.01 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.125 1.345 . . . . 0.0 112.617 -173.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.21 153.04 35.82 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 119.882 1.841 . . . . 0.0 110.513 -173.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.27 156.44 39.11 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.665 171.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.68 -64.8 0.7 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 129.509 3.124 . . . . 0.0 112.259 173.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.6 m -72.14 -24.59 61.48 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 120.929 -1.107 . . . . 0.0 110.094 -174.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -45.82 87.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.633 -0.667 . . . . 0.0 109.45 172.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.59 96.81 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 118.713 -0.66 . . . . 0.0 111.065 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -69.09 -35.23 76.27 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.862 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -58.51 -50.68 72.87 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 125.192 1.397 . . . . 0.0 110.16 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.4 mt -51.33 -51.7 51.99 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 118.333 -0.841 . . . . 0.0 109.449 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.53 -44.03 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-O 117.642 -1.171 . . . . 0.0 110.255 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -59.06 -30.68 68.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 120.613 1.551 . . . . 0.0 112.152 -174.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 40.5 mt -91.04 -43.91 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.872 1.269 . . . . 0.0 110.0 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.2 t -62.37 -54.63 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 119.938 1.244 . . . . 0.0 108.518 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.425 ' CD2' ' HE2' ' A' ' 99' ' ' LYS . 8.7 t-160 -57.83 -39.45 77.68 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.51 1.124 . . . . 0.0 109.157 173.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.49 -16.71 55.56 Favored Glycine 0 C--N 1.341 0.814 0 C-N-CA 126.737 2.113 . . . . 0.0 113.85 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 52.1 m -109.34 -40.12 5.01 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 116.332 -1.794 . . . . 0.0 111.069 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -49.5 -29.09 6.18 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 122.409 2.368 . . . . 0.0 114.622 -170.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.425 ' HE2' ' CD2' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -120.48 -4.89 9.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.274 1.03 . . . . 0.0 112.604 178.054 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.4 t -87.17 -51.27 6.08 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.015 -1.053 . . . . 0.0 108.837 172.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.3 m -57.21 116.41 13.55 Favored Pre-proline 0 N--CA 1.443 -0.798 0 C-N-CA 127.484 2.314 . . . . 0.0 109.527 -175.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.64 129.2 8.18 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.939 2.426 . . . . 0.0 109.322 174.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.06 177.57 10.66 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.077 1.751 . . . . 0.0 108.765 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.493 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 1.1 m-20 -81.0 -168.48 1.82 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.572 1.149 . . . . 0.0 110.174 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.85 -16.2 57.62 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.441 0.697 . . . . 0.0 111.521 159.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.493 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 9.0 t0 -69.62 96.12 0.92 Allowed 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 121.775 -0.578 . . . . 0.0 110.348 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -52.13 -32.75 36.86 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.263 1.425 . . . . 0.0 111.845 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.0 m -63.84 -52.72 58.84 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.748 1.158 . . . . 0.0 108.894 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 11.2 mm -57.8 -49.19 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.702 1.201 . . . . 0.0 109.59 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -50.18 -65.78 0.5 Allowed 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 126.782 2.033 . . . . 0.0 110.806 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.4 m -59.86 -33.53 71.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.893 0.769 . . . . 0.0 112.155 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.73 -52.91 62.29 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.684 1.129 . . . . 0.0 109.225 170.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.18 -45.61 93.82 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.852 0.751 . . . . 0.0 112.115 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.4 t -62.76 -27.5 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 125.265 1.426 . . . . 0.0 110.257 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -77.02 -45.92 25.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 120.615 -1.303 . . . . 0.0 110.365 172.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.6 m -64.03 -33.8 76.56 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.068 1.303 . . . . 0.0 112.782 -173.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 p -70.67 -51.1 30.01 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.582 1.083 . . . . 0.0 109.687 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -54.92 -45.93 74.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.819 1.648 . . . . 0.0 110.896 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -45.88 -59.57 2.74 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 126.23 1.812 . . . . 0.0 110.256 172.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.57 -39.15 48.75 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.513 0.597 . . . . 0.0 111.889 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.24 -41.75 96.84 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.302 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 16.1 mm -60.11 -44.66 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 120.527 1.512 . . . . 0.0 110.365 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -59.03 -36.99 75.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.216 0.606 . . . . 0.0 110.588 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -78.0 -46.13 21.88 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.059 0.944 . . . . 0.0 111.254 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.74 -14.72 34.64 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.59 1.556 . . . . 0.0 111.305 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 62.51 42.62 8.53 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.763 1.625 . . . . 0.0 110.761 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -100.5 11.49 39.35 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.366 163.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.266 0 N-CA-C 106.317 -1.735 . . . . 0.0 106.317 151.834 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 118.947 -0.549 . . . . 0.0 112.467 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -53.11 -52.28 59.15 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.17 0.986 . . . . 0.0 110.845 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -69.78 -47.8 68.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.148 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 tpt -47.86 -52.98 17.1 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.357 1.463 . . . . 0.0 111.248 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.03 -47.74 77.28 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.716 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -67.88 -35.42 78.48 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.617 1.167 . . . . 0.0 112.457 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.45 -54.98 39.0 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 170.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 t -64.54 1.21 0.86 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.956 1.703 . . . . 0.0 113.089 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 tt -104.29 -53.82 2.65 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.197 1.799 . . . . 0.0 107.855 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -61.13 -36.36 79.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.128 1.371 . . . . 0.0 111.453 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -47.51 -49.57 25.65 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.516 1.127 . . . . 0.0 110.937 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.29 11.38 63.39 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.974 -0.904 . . . . 0.0 114.588 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -57.04 -41.96 79.62 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 120.019 1.91 . . . . 0.0 112.911 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.59 20.09 12.41 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.09 0.956 . . . . 0.0 112.365 -176.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tp -52.44 -51.61 58.32 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.31 1.044 . . . . 0.0 110.428 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.32 -33.88 76.19 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 118.531 0.605 . . . . 0.0 110.512 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.63 -59.68 5.01 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -51.92 -42.03 62.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.407 1.083 . . . . 0.0 111.522 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -57.72 -61.65 2.37 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.05 -1.032 . . . . 0.0 109.701 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -61.21 -41.16 96.37 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.81 0.844 . . . . 0.0 110.479 -173.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -57.24 -50.34 73.2 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.792 2.037 . . . . 0.0 111.815 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.6 mtp -99.51 -4.94 30.15 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.716 0.806 . . . . 0.0 111.715 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 83.2 m 40.17 83.27 0.02 OUTLIER 'General case' 0 C--O 1.24 0.586 0 CA-C-O 123.116 1.436 . . . . 0.0 111.151 -150.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.2 mt -97.36 -175.72 3.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 113.786 -1.552 . . . . 0.0 106.836 154.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.3 p -107.35 176.25 5.22 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 125.984 1.714 . . . . 0.0 109.007 -169.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.33 -9.61 35.35 Favored 'General case' 0 N--CA 1.441 -0.924 0 O-C-N 121.453 -0.78 . . . . 0.0 111.788 162.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.35 71.98 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.792 -0.568 . . . . 0.0 112.18 172.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.7 pt -61.82 -26.92 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-N 119.354 0.979 . . . . 0.0 111.639 170.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -61.46 -31.33 71.29 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -46.03 38.68 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.151 0.98 . . . . 0.0 111.611 174.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -61.13 -17.17 51.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.751 0.82 . . . . 0.0 111.127 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -95.79 -47.91 5.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 126.03 1.732 . . . . 0.0 112.345 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -61.54 -34.74 76.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.493 1.517 . . . . 0.0 110.908 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -104.76 13.9 30.56 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.761 1.224 . . . . 0.0 111.803 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -55.06 -46.43 75.4 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.823 1.192 . . . . 0.0 110.58 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -88.14 44.2 1.18 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.423 1.489 . . . . 0.0 111.397 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 175.1 9.99 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 120.571 -1.331 . . . . 0.0 108.002 158.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -99.51 24.86 7.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.2 1.0 . . . . 0.0 113.687 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.47 12.99 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.34 -0.7 . . . . 0.0 114.347 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -75.21 123.74 25.81 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 118.939 1.369 . . . . 0.0 111.491 -170.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -95.41 134.69 37.94 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.256 1.022 . . . . 0.0 111.27 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 55.1 mt -113.07 108.52 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -170.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -130.33 1.51 4.62 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -63.95 106.57 1.05 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -55.43 -27.01 45.25 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.147 -0.971 . . . . 0.0 110.518 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -70.04 -26.29 63.97 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.487 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.9 p -68.0 -44.44 76.58 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -53.69 -37.66 57.36 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 123.422 0.534 . . . . 0.0 112.986 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -39.2 55.18 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.417 0.608 . . . . 0.0 111.113 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.06 -49.29 72.0 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.56 -50.51 73.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 125.544 1.538 . . . . 0.0 109.705 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 19.0 ttp -53.56 -51.25 63.54 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 120.018 1.281 . . . . 0.0 111.583 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.98 -49.62 76.18 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.05 -45.94 89.49 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 117.897 -1.049 . . . . 0.0 110.294 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 m -56.14 -44.14 78.91 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 121.01 1.732 . . . . 0.0 111.766 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.9 m -53.02 -57.86 8.93 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -67.35 -13.32 61.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.032 1.333 . . . . 0.0 113.076 -170.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 mt -94.22 6.78 47.57 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.171 0.989 . . . . 0.0 110.899 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 62.24 37.55 14.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.894 1.678 . . . . 0.0 110.453 -177.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 36.0 mtm -98.64 -7.57 27.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 117.963 -1.018 . . . . 0.0 112.333 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 CA--C 1.519 -0.222 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -174.886 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.08 89.6 2.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.412 2.285 . . . . 0.0 105.206 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -61.11 -30.54 70.43 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -173.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.48 -65.89 2.72 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.579 1.085 . . . . 0.0 111.298 166.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -71.38 -22.91 61.82 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.45 81.35 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.77 1.628 . . . . 0.0 111.662 169.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 17.5 ttm -66.01 -37.7 86.59 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 121.767 -0.583 . . . . 0.0 109.661 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -55.33 36.48 Favored 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -45.45 -48.16 13.81 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 123.869 0.868 . . . . 0.0 110.116 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.5 -68.02 0.3 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.613 0.765 . . . . 0.0 111.357 175.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.1 -38.37 73.27 Favored 'General case' 0 C--N 1.344 0.353 0 O-C-N 121.093 -1.005 . . . . 0.0 111.761 -173.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -47.49 -49.05 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.553 1.941 . . . . 0.0 110.992 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -78.52 -2.48 38.92 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.38 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.52 3.92 22.07 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.994 1.283 . . . . 0.0 113.188 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.39 146.15 54.93 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 119.631 1.716 . . . . 0.0 111.155 -165.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.55 160.33 16.82 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 122.209 1.004 . . . . 0.0 109.146 174.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -59.99 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.019 1.328 . . . . 0.0 110.413 176.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.7 m -68.69 -31.79 71.13 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 119.025 0.83 . . . . 0.0 110.551 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 9.5 ttt -55.42 -55.14 35.14 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 119.169 0.895 . . . . 0.0 108.979 170.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.04 -30.14 70.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 120.803 -1.186 . . . . 0.0 111.846 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -66.88 -42.12 86.08 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 119.415 1.007 . . . . 0.0 110.551 171.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -57.19 -48.45 78.72 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.666 1.587 . . . . 0.0 110.104 174.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 mp -55.74 -20.4 14.54 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 125.701 1.601 . . . . 0.0 114.949 175.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.0 mp -103.54 -32.35 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-O 116.694 -1.622 . . . . 0.0 111.335 171.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -60.56 -48.24 82.67 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 121.604 2.002 . . . . 0.0 109.348 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.6 mt -67.49 -49.82 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -176.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.2 t -67.52 -49.12 73.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 118.248 0.476 . . . . 0.0 110.516 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -58.15 -41.84 84.64 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.61 18.09 6.08 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 128.91 3.148 . . . . 0.0 114.42 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 67.5 m -131.8 -28.1 1.83 Allowed 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 125.651 1.58 . . . . 0.0 110.229 168.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -56.47 -17.31 7.79 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 121.857 2.117 . . . . 0.0 114.641 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 -43.6 2.23 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.601 -1.312 . . . . 0.0 108.81 173.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 m -55.86 -40.68 73.26 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 127.494 2.317 . . . . 0.0 113.695 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.8 m -69.17 118.03 57.79 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 171.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -77.94 140.37 18.12 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.518 2.145 . . . . 0.0 108.396 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.43 161.56 42.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.25 0.62 . . . . 0.0 109.361 170.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.61 162.91 3.54 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 151.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -62.23 -5.1 2.1 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.035 1.734 . . . . 0.0 113.69 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -68.53 97.12 0.75 Allowed 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -34.77 23.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 127.195 2.198 . . . . 0.0 115.714 -174.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.96 -45.52 85.38 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 119.976 1.262 . . . . 0.0 109.25 173.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.3 mt -63.51 -44.3 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 119.687 1.131 . . . . 0.0 109.926 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -50.68 -65.84 0.49 Allowed 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.2 1.4 . . . . 0.0 111.008 171.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.8 m -62.49 -34.31 76.59 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.156 0.889 . . . . 0.0 111.983 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.75 -47.31 70.77 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.034 1.288 . . . . 0.0 108.681 169.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.59 -45.42 96.36 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.153 0.883 . . . . 0.0 112.335 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 35.9 t -58.32 -39.46 74.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 118.866 1.333 . . . . 0.0 109.332 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.99 77.28 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.653 -1.279 . . . . 0.0 112.467 173.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.5 m -66.38 -41.33 89.54 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.152 0.887 . . . . 0.0 110.519 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.6 p -58.3 -49.73 76.14 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -65.78 -39.09 90.63 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 127.403 2.281 . . . . 0.0 110.673 -172.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -60.53 2.71 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 124.261 1.024 . . . . 0.0 109.275 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.95 74.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 118.848 -0.596 . . . . 0.0 111.325 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.66 -41.7 74.01 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 117.73 -1.129 . . . . 0.0 111.224 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 4.3 mm -60.49 -47.07 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 121.467 1.94 . . . . 0.0 110.29 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -65.38 -14.37 60.71 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 176.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -41.76 11.6 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 120.781 1.628 . . . . 0.0 109.175 172.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.69 -29.01 67.37 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -174.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 20.6 t30 95.42 27.58 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.32 1 C-N-CA 132.607 4.363 . . . . 0.0 110.511 167.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . 0.26 6.6 m0 -91.77 27.97 1.92 Allowed 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -168.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-N 119.119 0.872 . . . . 0.0 110.375 178.505 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? . . . . . 0 C--O 1.226 -0.136 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -58.95 -44.96 91.55 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.971 0.805 . . . . 0.0 110.052 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.13 -50.01 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.81 0.844 . . . . 0.0 109.444 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -38.34 86.09 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.944 1.247 . . . . 0.0 110.416 -176.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -57.33 -53.93 52.59 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 124.232 1.013 . . . . 0.0 109.535 169.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -53.54 -46.84 70.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.769 1.628 . . . . 0.0 111.595 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -59.71 4.48 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 127.639 2.376 . . . . 0.0 109.055 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 t -60.43 -28.37 68.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.145 1.378 . . . . 0.0 111.674 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -70.27 -55.06 10.17 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 125.433 1.493 . . . . 0.0 107.895 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -66.96 -33.5 75.71 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.202 -175.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -55.13 -36.88 66.23 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.513 1.125 . . . . 0.0 110.754 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.87 13.88 58.02 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 118.45 -1.195 . . . . 0.0 114.322 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -54.09 43.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 120.23 2.015 . . . . 0.0 111.089 -178.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.17 18.38 1.09 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.715 1.206 . . . . 0.0 112.641 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tp -57.96 -54.45 46.82 Favored 'General case' 0 C--O 1.223 -0.318 0 O-C-N 120.779 -1.201 . . . . 0.0 110.966 -174.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.02 -31.28 72.08 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.825 0.739 . . . . 0.0 112.591 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.22 -65.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 169.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.7 m -52.92 -35.69 58.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.915 0.886 . . . . 0.0 112.739 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -59.27 -53.27 60.15 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.422 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -70.58 -32.76 70.28 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.598 1.09 . . . . 0.0 110.8 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.98 -34.62 76.89 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.404 1.002 . . . . 0.0 112.805 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.0 mtm -116.97 9.52 13.74 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.738 1.215 . . . . 0.0 112.916 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.8 m 40.89 72.25 0.16 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-O 123.791 1.758 . . . . 0.0 111.254 -169.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.12 168.99 9.23 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 164.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.8 p -105.91 -171.51 1.92 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.626 1.203 . . . . 0.0 110.059 -159.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.5 -11.51 40.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.537 159.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -33.93 76.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 119.472 1.033 . . . . 0.0 109.897 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.5 pt -61.86 -30.93 49.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 CA-C-O 118.44 -0.791 . . . . 0.0 110.587 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -62.15 -33.66 74.92 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 119.107 0.867 . . . . 0.0 108.695 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -44.16 76.52 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.81 2.044 . . . . 0.0 111.264 176.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -58.19 -58.85 6.65 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -58.49 -34.04 70.46 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.236 -0.915 . . . . 0.0 112.226 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -43.36 86.53 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.662 1.185 . . . . 0.0 110.198 175.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -113.14 5.18 16.94 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 123.723 0.809 . . . . 0.0 111.924 -162.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -49.69 -42.26 45.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.133 1.773 . . . . 0.0 111.484 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -90.39 28.5 1.45 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.962 1.305 . . . . 0.0 112.719 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -79.48 174.52 11.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.885 1.274 . . . . 0.0 107.99 172.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.34 109.97 21.77 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 163.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.3 26.37 18.58 Favored Glycine 0 N--CA 1.466 0.688 0 C-N-CA 123.869 0.747 . . . . 0.0 114.463 166.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -87.98 145.08 26.18 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.573 1.149 . . . . 0.0 109.215 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -121.39 135.67 55.04 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-O 122.502 1.144 . . . . 0.0 110.568 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.414 ' CG2' ' HG1' ' A' ' 48' ' ' THR . 72.9 mt -102.44 105.04 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 104.186 -2.524 . . . . 0.0 104.186 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -116.9 -8.38 11.31 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 119.214 -0.422 . . . . 0.0 112.048 169.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -48.14 114.17 0.88 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 126.522 1.929 . . . . 0.0 110.808 173.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -64.18 -28.1 69.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.27 -0.893 . . . . 0.0 110.296 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.75 -28.06 63.39 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.299 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.414 ' HG1' ' CG2' ' A' ' 43' ' ' ILE . 67.2 p -66.3 -44.51 83.28 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-N 120.03 1.286 . . . . 0.0 108.17 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.22 -52.14 23.79 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 124.844 1.211 . . . . 0.0 111.022 174.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -30.81 69.51 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.45 -52.25 66.0 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 120.035 1.289 . . . . 0.0 109.559 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.4 mt -55.29 -45.82 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.306 1.442 . . . . 0.0 108.525 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -58.85 -51.33 70.45 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.929 0.892 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.4 t -57.62 -53.87 53.28 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 122.969 0.507 . . . . 0.0 110.365 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 76.9 mt -54.1 -45.25 71.8 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.338 1.055 . . . . 0.0 110.732 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -51.49 -56.83 11.2 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.7 0.8 . . . . 0.0 110.709 174.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -50.36 -54.12 23.96 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.131 0.878 . . . . 0.0 111.0 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -64.02 -21.79 66.65 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.282 1.033 . . . . 0.0 113.308 -170.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.7 mt -83.33 -2.28 55.32 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.919 0.888 . . . . 0.0 111.765 175.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 72.2 22.04 3.72 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 129.251 3.02 . . . . 0.0 112.226 -165.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.7 mtm -100.03 52.62 0.91 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.531 1.132 . . . . 0.0 110.733 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 147.424 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 C--O 1.236 0.342 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -113.4 106.14 14.23 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 163.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -49.61 -55.49 13.41 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.245 0.618 . . . . 0.0 111.0 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.89 -56.06 6.03 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.369 1.462 . . . . 0.0 113.571 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -70.18 -37.44 75.13 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.945 0.872 . . . . 0.0 111.798 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.77 -47.39 86.52 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.158 0.983 . . . . 0.0 111.404 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -43.24 99.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.27 1.828 . . . . 0.0 110.401 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -57.84 10.81 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 123.716 0.806 . . . . 0.0 109.376 172.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -49.06 -43.86 41.25 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.643 1.177 . . . . 0.0 110.575 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.0 -59.8 3.75 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 118.551 0.614 . . . . 0.0 112.365 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -61.25 -19.99 62.33 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.326 0.966 . . . . 0.0 112.752 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -70.62 -31.09 67.93 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 120.219 -1.551 . . . . 0.0 111.331 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -108.14 13.3 26.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.841 2.056 . . . . 0.0 113.465 -170.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.34 10.87 53.42 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-N 119.854 1.206 . . . . 0.0 114.468 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.43 129.7 35.23 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 119.413 1.607 . . . . 0.0 112.309 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.61 158.36 6.1 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 122.775 1.274 . . . . 0.0 110.299 166.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -53.88 50.7 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.052 2.141 . . . . 0.0 111.311 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 m -65.94 -39.1 90.19 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.97 -51.98 67.35 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 122.996 0.518 . . . . 0.0 109.732 176.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.24 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 119.091 0.86 . . . . 0.0 112.218 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -65.27 -47.87 75.18 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.369 173.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.05 -44.55 91.83 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.983 1.713 . . . . 0.0 110.594 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.01 -11.44 19.1 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.868 1.267 . . . . 0.0 112.396 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.1 -47.14 11.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 117.827 -1.082 . . . . 0.0 111.115 164.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.43 -30.68 71.77 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 120.985 1.72 . . . . 0.0 110.712 -168.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 56.3 mt -75.96 -47.92 30.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 123.834 0.854 . . . . 0.0 108.702 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.18 -63.13 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 125.033 1.333 . . . . 0.0 109.982 -178.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.596 ' CD2' ' HE2' ' A' ' 99' ' ' LYS . 19.1 t-160 -54.92 -46.95 74.97 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.018 1.327 . . . . 0.0 108.375 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.95 -23.32 56.64 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 118.394 -1.226 . . . . 0.0 113.277 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.9 m -95.41 -24.8 16.53 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 119.828 1.814 . . . . 0.0 112.029 171.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.42 -29.91 7.18 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 122.259 2.299 . . . . 0.0 113.293 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.596 ' HE2' ' CD2' ' A' ' 95' ' ' HIS . 0.5 OUTLIER -120.03 -35.45 3.48 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 124.971 1.308 . . . . 0.0 111.51 -175.226 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -34.36 64.1 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.369 1.067 . . . . 0.0 112.099 -178.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.1 m -69.13 121.13 80.75 Favored Pre-proline 0 N--CA 1.45 -0.441 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -74.5 145.85 34.09 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 122.654 2.236 . . . . 0.0 110.271 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.45 -174.33 3.93 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.292 1.437 . . . . 0.0 109.358 -174.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.31 2.6 p30 -112.66 -174.24 2.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 148.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -13.63 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.728 1.211 . . . . 0.0 111.752 178.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -66.17 96.05 0.32 Allowed 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.338 1.455 . . . . 0.0 110.274 171.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -44.71 -35.32 2.61 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.364 1.066 . . . . 0.0 111.969 167.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 34.5 m -61.94 -48.26 81.23 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 119.511 1.051 . . . . 0.0 110.083 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.0 mm -64.15 -45.18 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 125.487 1.515 . . . . 0.0 109.397 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -48.97 -66.94 0.32 Allowed 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.261 1.424 . . . . 0.0 110.471 172.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.0 m -60.98 -29.07 69.45 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.88 -56.23 13.27 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.889 0.876 . . . . 0.0 109.59 169.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.46 -38.31 69.55 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-O 119.236 -0.758 . . . . 0.0 112.533 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.54 -23.67 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 118.717 1.258 . . . . 0.0 108.8 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.4 -49.31 12.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.097 -1.43 . . . . 0.0 111.497 167.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -58.9 -37.97 77.83 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 121.579 1.99 . . . . 0.0 112.458 -171.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 20.2 p -61.05 -61.55 2.5 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -49.94 -46.95 52.65 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 126.327 1.851 . . . . 0.0 111.708 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -46.07 -57.8 4.15 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 127.413 2.285 . . . . 0.0 110.584 172.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.35 -32.22 72.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.076 0.853 . . . . 0.0 111.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.03 -41.22 82.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.674 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.2 mm -56.17 -45.42 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 119.642 1.11 . . . . 0.0 110.098 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -64.17 -28.35 69.69 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.16 0.584 . . . . 0.0 111.935 175.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -40.46 72.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 119.975 -1.703 . . . . 0.0 107.916 174.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.5 mt -75.28 -4.76 40.97 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.556 1.143 . . . . 0.0 111.388 -172.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.3 t30 58.54 23.83 11.26 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.359 2.263 . . . . 0.0 112.201 -171.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.1 m0 -86.06 27.46 0.9 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.44 1.896 . . . . 0.0 111.154 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 1 C-N-CA 131.776 4.03 . . . . 0.0 107.002 -164.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -41.67 -69.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 129.883 3.273 . . . . 0.0 110.674 -167.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.88 -35.24 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.759 -175.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -47.49 85.46 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.21 1.804 . . . . 0.0 111.261 177.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.63 -45.74 85.02 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.052 0.941 . . . . 0.0 109.911 175.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -68.36 -36.77 79.69 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 122.639 0.375 . . . . 0.0 111.792 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.39 -46.49 86.22 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 125.032 1.333 . . . . 0.0 110.323 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -53.14 -44.68 67.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.255 1.422 . . . . 0.0 109.329 170.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.25 -38.51 68.87 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 120.664 -1.272 . . . . 0.0 111.208 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.9 -35.05 62.26 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.424 -174.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -56.5 -45.38 81.05 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 168.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.89 10.08 1.73 Allowed Glycine 0 CA--C 1.536 1.355 0 CA-C-O 117.878 -1.512 . . . . 0.0 116.573 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -58.73 7.27 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 121.26 2.53 . . . . 0.0 111.52 -176.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 22.55 0.13 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.182 0.993 . . . . 0.0 113.231 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 tp -55.79 -53.36 57.67 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 120.713 1.597 . . . . 0.0 110.973 -171.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.48 -28.2 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 122.058 0.932 . . . . 0.0 111.664 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.06 -58.71 5.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.165 170.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.1 m -57.78 -25.56 60.68 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.929 -1.107 . . . . 0.0 112.997 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -64.0 -59.67 4.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 124.214 1.006 . . . . 0.0 108.796 170.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -44.67 85.89 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 119.954 1.252 . . . . 0.0 110.669 -173.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.16 -35.81 17.72 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.507 1.523 . . . . 0.0 112.916 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mtm -119.55 -0.94 10.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.463 1.105 . . . . 0.0 112.721 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.1 m 46.49 82.83 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.821 2.049 . . . . 0.0 111.783 -161.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.0 mt -111.75 138.72 47.95 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.975 0.91 . . . . 0.0 108.93 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 p -75.41 160.22 30.5 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.191 0.996 . . . . 0.0 113.08 -167.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -11.53 60.86 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.158 -0.964 . . . . 0.0 111.969 173.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.28 -30.16 62.11 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.386 171.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 pt -68.8 -29.95 45.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.609 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -61.44 -28.47 69.3 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.01 1.277 . . . . 0.0 108.846 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -45.55 57.44 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 119.218 0.917 . . . . 0.0 109.489 171.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.51 -46.37 90.39 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 119.358 0.981 . . . . 0.0 109.777 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -63.87 -46.29 85.62 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 125.228 1.411 . . . . 0.0 111.54 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -62.24 -52.3 64.3 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.487 1.04 . . . . 0.0 110.368 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -74.09 2.36 9.05 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.783 0.833 . . . . 0.0 111.399 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.78 -27.34 68.82 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 119.544 -1.973 . . . . 0.0 111.909 -171.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -94.65 22.61 6.1 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -174.92 0.13 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.965 1.306 . . . . 0.0 110.748 168.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.37 54.27 0.89 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.568 2.347 . . . . 0.0 111.388 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.5 17.67 2.34 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.186 1.374 . . . . 0.0 113.378 174.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -62.3 156.72 21.49 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 118.343 1.071 . . . . 0.0 109.888 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -131.24 135.88 47.74 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 125.041 1.336 . . . . 0.0 109.399 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.9 mt -106.93 122.37 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 -170.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -133.12 -26.45 1.7 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 117.746 -1.121 . . . . 0.0 113.332 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -62.23 110.81 1.74 Allowed 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.466 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 2.2 ptm180 -55.81 -24.27 35.13 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.572 1.078 . . . . 0.0 110.768 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.04 -29.36 67.23 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.394 0.677 . . . . 0.0 111.962 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.7 p -71.1 -46.16 62.3 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-N 119.65 1.114 . . . . 0.0 108.73 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.21 -41.53 94.87 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -30.4 65.89 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.991 0.895 . . . . 0.0 112.447 175.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 -53.29 55.93 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.602 1.092 . . . . 0.0 109.887 170.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.9 mt -52.22 -47.78 44.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.274 1.429 . . . . 0.0 108.792 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -59.53 -53.08 62.26 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.566 -0.709 . . . . 0.0 111.526 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.99 -46.78 78.6 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 123.613 0.765 . . . . 0.0 111.092 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 76.7 mt -55.36 -52.1 64.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.174 0.99 . . . . 0.0 108.666 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.69 -44.9 57.99 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.278 0.631 . . . . 0.0 110.863 176.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.405 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -57.69 -55.76 30.66 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 178.13 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -64.06 -11.78 32.66 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.389 1.476 . . . . 0.0 112.687 -174.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.0 mt -96.35 20.95 9.7 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.83 1.252 . . . . 0.0 109.95 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.415 ' ND2' HD22 ' A' ' 72' ' ' ASN . 45.1 t30 59.39 19.22 7.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.895 2.078 . . . . 0.0 112.35 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -90.0 -17.39 27.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.64 1.109 . . . . 0.0 111.6 -171.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 57' ' ' THR . 1.3 mp . . . . . 0 CA--C 1.498 -1.023 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -172.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.316 0.579 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -74.28 82.68 1.87 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.182 0.993 . . . . 0.0 109.075 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -51.34 -35.19 37.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.098 1.359 . . . . 0.0 113.36 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.4 -44.35 85.04 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.568 0.604 . . . . 0.0 112.477 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.415 HD22 ' ND2' ' A' ' 60' ' ' ASN . 23.1 t30 -85.92 -35.3 20.58 Favored 'General case' 0 N--CA 1.458 -0.048 0 C-N-CA 124.124 0.97 . . . . 0.0 111.014 -174.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.69 -43.97 37.52 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.949 1.7 . . . . 0.0 111.586 168.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.8 ttm -65.04 -40.64 95.09 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.815 0.846 . . . . 0.0 111.834 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -61.19 -42.64 98.94 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 118.884 0.766 . . . . 0.0 109.636 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -53.31 -44.94 68.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 118.164 0.438 . . . . 0.0 110.904 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.59 -56.96 10.54 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.498 0.719 . . . . 0.0 110.165 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -25.13 64.23 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.73 -0.606 . . . . 0.0 111.76 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -54.05 -53.82 47.78 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.534 1.134 . . . . 0.0 110.311 170.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -72.6 -20.21 61.34 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.386 -175.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.72 11.19 6.62 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.593 1.092 . . . . 0.0 113.782 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.83 141.82 54.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 119.04 1.42 . . . . 0.0 110.646 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 153.73 16.67 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 174.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -55.51 32.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.773 1.629 . . . . 0.0 109.174 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 m -65.84 -37.69 86.87 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 124.269 1.028 . . . . 0.0 110.163 -177.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.5 ttp -60.63 -50.52 73.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.91 -31.67 73.02 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.008 -1.058 . . . . 0.0 111.975 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -64.03 -45.79 87.29 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.819 170.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -55.01 -50.4 69.13 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.753 1.221 . . . . 0.0 110.068 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.1 mp -45.56 -60.84 1.96 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.724 1.21 . . . . 0.0 110.962 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.78 -29.84 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.648 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -69.46 -43.26 73.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 121.047 1.749 . . . . 0.0 110.302 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.9 mt -64.02 -50.8 75.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 125.092 1.357 . . . . 0.0 108.055 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.39 -49.73 79.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.429 0.691 . . . . 0.0 110.697 -175.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.13 -32.37 73.73 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.871 0.869 . . . . 0.0 109.84 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.58 -63.08 4.94 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 17.6 m -59.25 -23.56 62.46 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 115.414 -2.231 . . . . 0.0 113.48 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -48.24 -26.69 2.07 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 122.7 2.5 . . . . 0.0 112.349 175.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 -30.14 1.72 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.696 1.198 . . . . 0.0 112.871 176.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -40.37 89.1 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.545 0.611 . . . . 0.0 110.801 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 55.4 m -63.63 117.88 39.16 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -73.95 144.69 34.74 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 121.941 1.76 . . . . 0.0 109.633 165.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -146.91 -174.83 4.59 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.89 0.876 . . . . 0.0 109.859 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.86 168.01 10.91 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 149.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -68.23 3.34 1.71 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.535 1.134 . . . . 0.0 113.877 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.93 94.26 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 162.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -23.92 35.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 O-C-N 120.61 -1.306 . . . . 0.0 113.052 177.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 14.9 m -55.7 -60.81 2.93 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 167.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.7 mm -61.08 -44.33 98.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 125.865 1.666 . . . . 0.0 110.002 -175.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -55.49 -62.25 1.8 Allowed 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.334 1.053 . . . . 0.0 110.952 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.2 m -59.9 -34.27 72.97 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.825 0.739 . . . . 0.0 111.298 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER -50.66 -54.38 23.48 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.777 1.171 . . . . 0.0 110.365 169.195 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.55 -46.51 93.62 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.029 -0.873 . . . . 0.0 111.26 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.08 -49.36 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 118.088 0.944 . . . . 0.0 109.011 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.13 -16.36 61.45 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.494 -1.379 . . . . 0.0 112.267 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.8 m -88.41 -38.92 14.67 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.695 1.598 . . . . 0.0 111.326 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.1 p -59.5 -47.28 86.14 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -59.63 -45.92 90.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 117.123 -1.418 . . . . 0.0 109.906 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -44.17 -55.96 4.43 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.129 1.332 . . . . 0.0 110.886 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.6 -38.98 75.83 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.958 0.345 . . . . 0.0 111.094 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -59.9 -40.1 87.66 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 118.597 0.635 . . . . 0.0 111.017 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 5.5 mm -59.11 -50.91 78.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -58.21 -45.65 87.26 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.741 0.816 . . . . 0.0 110.951 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -64.25 -31.97 73.38 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.753 -0.592 . . . . 0.0 111.292 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.7 mt -82.24 -3.21 54.68 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.887 2.075 . . . . 0.0 111.68 173.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 63.74 18.77 11.35 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.963 2.505 . . . . 0.0 114.018 -177.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -77.98 34.79 0.2 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.804 2.441 . . . . 0.0 113.652 -173.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.429 1 C-N-CA 131.917 4.087 . . . . 0.0 109.165 -156.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.342 0 CA-C-O 119.345 -0.36 . . . . 0.0 111.954 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.12 -58.78 6.28 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.267 1.427 . . . . 0.0 110.186 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -63.52 -44.23 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 121.463 0.649 . . . . 0.0 110.282 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.7 tpt -50.43 -49.58 54.42 Favored 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 124.873 1.269 . . . . 0.0 112.081 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -56.09 -51.39 68.07 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.294 1.406 . . . . 0.0 109.857 176.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -61.77 -32.95 73.26 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.962 1.305 . . . . 0.0 112.496 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -66.18 -45.15 81.89 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.082 0.953 . . . . 0.0 110.228 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -67.99 -26.49 65.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.763 0.711 . . . . 0.0 112.089 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.7 tp -71.72 -51.82 20.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -68.19 -34.18 75.79 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.416 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -56.02 -54.66 42.19 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 122.917 0.487 . . . . 0.0 110.12 170.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.47 4.07 7.38 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-O 117.392 -1.782 . . . . 0.0 115.545 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -52.07 -64.65 0.75 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.521 2.16 . . . . 0.0 110.287 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.98 18.31 0.64 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.872 1.269 . . . . 0.0 113.282 -174.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 tp -53.81 -54.98 30.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 124.574 1.149 . . . . 0.0 109.223 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -70.46 -32.5 70.08 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -170.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.18 -51.68 68.73 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 170.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.89 -34.71 76.52 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.549 0.34 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -57.29 -62.01 2.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -37.53 87.21 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.756 1.162 . . . . 0.0 110.808 -176.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.24 -30.32 64.53 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.609 1.163 . . . . 0.0 112.76 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mtm -119.07 -0.73 11.05 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.624 1.169 . . . . 0.0 111.655 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.1 m 48.33 73.02 0.23 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.3 1.84 . . . . 0.0 110.937 -165.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.9 mt -105.65 147.91 27.96 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 169.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.3 p -83.68 178.83 7.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.417 1.103 . . . . 0.0 111.232 -164.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -73.27 -34.05 65.59 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-O 116.79 -1.576 . . . . 0.0 110.144 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.52 43.51 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 124.409 1.068 . . . . 0.0 113.198 -166.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.3 pt -60.78 -24.84 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 124.456 1.102 . . . . 0.0 111.432 175.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -50.72 -38.27 46.36 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 119.69 1.132 . . . . 0.0 110.077 170.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -41.04 69.19 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.334 1.054 . . . . 0.0 108.859 -178.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.23 -23.37 62.91 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.176 0.991 . . . . 0.0 111.747 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -87.2 -46.84 9.37 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.995 1.718 . . . . 0.0 109.976 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -65.73 -54.31 28.97 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.722 1.609 . . . . 0.0 110.427 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -79.92 0.49 31.13 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 117.675 -1.155 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -46.79 -41.93 16.22 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 120.656 1.571 . . . . 0.0 112.623 -170.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -83.19 8.49 13.07 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 156.49 23.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 122.94 1.352 . . . . 0.0 110.134 176.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -80.54 24.14 0.48 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 -165.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 166.55 17.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.374 0.987 . . . . 0.0 112.774 -173.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -74.61 128.8 36.44 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 118.613 1.206 . . . . 0.0 109.972 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -101.56 149.87 23.66 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 123.007 1.384 . . . . 0.0 113.558 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.5 mt -121.23 122.72 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 C-N-CA 128.371 2.669 . . . . 0.0 104.202 -166.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -142.17 -23.58 0.68 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.141 1.164 . . . . 0.0 114.141 -171.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.46 117.14 7.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -53.4 -29.42 34.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.466 1.106 . . . . 0.0 110.195 166.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -58.58 -37.56 76.04 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.277 1.431 . . . . 0.0 111.59 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.8 p -74.61 -36.92 62.96 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 120.051 1.296 . . . . 0.0 109.475 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -54.71 -51.96 49.07 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -31.5 70.23 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 176.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.26 -49.97 72.02 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 120.233 1.378 . . . . 0.0 110.578 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.4 mt -53.1 -50.43 45.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 125.398 1.479 . . . . 0.0 108.277 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.3 ttp -60.35 -44.99 95.04 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.8 t -63.97 -43.37 95.96 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.072 0.549 . . . . 0.0 110.049 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.9 mt -58.6 -50.81 72.45 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.8 m -55.0 -42.3 72.32 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.89 1.223 . . . . 0.0 112.0 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.4 m -49.7 -53.58 23.79 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 120.313 1.415 . . . . 0.0 109.483 169.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -66.77 -18.03 65.17 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -173.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -93.85 12.09 27.08 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.923 1.692 . . . . 0.0 111.227 170.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 m120 57.66 29.55 17.46 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.905 2.082 . . . . 0.0 111.278 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.3 mtm -79.13 15.04 1.24 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 120.855 -1.153 . . . . 0.0 112.275 -175.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 105.345 -2.095 . . . . 0.0 105.345 176.201 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -91.1 93.79 9.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 173.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -53.35 -35.75 60.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.454 1.102 . . . . 0.0 111.601 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.8 -80.98 0.07 OUTLIER Glycine 0 CA--C 1.525 0.693 0 C-N-CA 126.805 2.145 . . . . 0.0 112.797 166.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.37 -23.23 62.38 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.043 1.421 . . . . 0.0 113.077 -171.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.74 -57.6 10.38 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.547 1.539 . . . . 0.0 110.685 168.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.8 ttm -62.92 -42.82 99.92 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.169 0.988 . . . . 0.0 111.449 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.52 -48.17 82.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -175.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -51.65 -44.17 62.91 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 122.848 0.459 . . . . 0.0 111.009 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.37 -66.06 0.59 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.787 0.835 . . . . 0.0 110.287 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -39.42 72.17 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.149 0.58 . . . . 0.0 110.381 -176.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -50.94 -45.56 60.69 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 126.08 1.752 . . . . 0.0 112.472 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -81.53 -2.71 50.88 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 117.888 -1.053 . . . . 0.0 112.989 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.76 9.32 21.15 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-N 119.429 1.013 . . . . 0.0 113.957 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.51 148.31 49.03 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.475 1.638 . . . . 0.0 111.124 -173.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.61 158.82 34.94 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 172.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.62 -55.0 40.75 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.578 1.551 . . . . 0.0 110.085 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.0 m -59.95 -43.47 94.98 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 123.294 0.638 . . . . 0.0 109.478 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.8 ttt -56.96 -52.14 66.38 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.046 0.938 . . . . 0.0 110.209 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.77 94.27 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 118.791 -0.623 . . . . 0.0 110.123 -176.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -68.19 -33.6 74.74 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.263 175.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.92 -53.54 56.69 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.124 1.37 . . . . 0.0 110.126 175.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -49.93 33.35 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.026 0.83 . . . . 0.0 111.174 176.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mp -73.93 -33.62 37.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 CA-C-O 117.162 -1.399 . . . . 0.0 110.76 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.09 -40.85 97.13 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 122.855 2.57 . . . . 0.0 112.2 178.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.2 mt -74.61 -47.68 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 124.16 0.984 . . . . 0.0 108.345 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.6 t -61.08 -56.14 19.93 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 123.544 0.738 . . . . 0.0 109.726 177.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.436 ' CE1' ' HZ1' ' A' ' 99' ' ' LYS . 55.0 t-80 -59.39 -30.23 68.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.145 0.978 . . . . 0.0 110.795 -175.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.92 -66.33 2.47 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 171.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.8 m -45.42 -36.08 4.1 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 116.42 -1.752 . . . . 0.0 111.713 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -47.91 -28.04 2.47 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 122.36 2.345 . . . . 0.0 114.665 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.436 ' HZ1' ' CE1' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -127.67 -30.65 2.52 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 124.902 1.281 . . . . 0.0 113.051 176.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.5 m -52.05 -44.02 64.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.465 1.106 . . . . 0.0 110.703 167.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.9 m -76.34 124.34 88.07 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 123.294 0.638 . . . . 0.0 110.143 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.8 141.02 18.95 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.503 2.802 . . . . 0.0 109.914 166.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.77 166.99 31.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.301 1.441 . . . . 0.0 109.156 171.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.93 169.71 14.25 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 159.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -66.29 -6.76 15.1 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.492 1.117 . . . . 0.0 113.613 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.41 93.46 0.07 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 172.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.68 -32.66 1.57 Allowed 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 127.72 2.408 . . . . 0.0 113.69 169.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 61.0 m -61.02 -53.82 52.49 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.27 1.395 . . . . 0.0 109.018 171.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 7.4 mm -61.33 -51.45 72.9 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 C-N-CA 125.191 1.396 . . . . 0.0 109.125 -175.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -50.75 -57.9 7.21 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 126.132 1.773 . . . . 0.0 111.238 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.0 m -63.25 -32.72 74.2 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.056 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -56.21 22.99 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.304 1.442 . . . . 0.0 109.517 167.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.84 -40.71 99.19 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-O 119.265 -0.742 . . . . 0.0 112.231 -175.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 75.0 t -59.69 -47.47 91.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 125.158 1.383 . . . . 0.0 108.718 175.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.19 98.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 121.38 -0.825 . . . . 0.0 111.059 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.4 m -70.44 -35.71 73.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.236 -0.888 . . . . 0.0 112.267 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.2 p -67.36 -43.95 80.22 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.872 1.669 . . . . 0.0 109.251 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -57.56 -46.49 83.88 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.015 1.326 . . . . 0.0 111.644 176.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -41.48 -59.26 1.64 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.377 1.471 . . . . 0.0 109.802 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.12 -40.49 64.24 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.609 0.764 . . . . 0.0 112.075 -172.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -59.02 -43.11 91.52 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 126.036 1.734 . . . . 0.0 110.945 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 16.3 mm -61.84 -40.59 87.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 123.354 0.662 . . . . 0.0 109.484 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -61.95 -42.85 99.59 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.066 -0.396 . . . . 0.0 110.864 171.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -60.43 -38.53 84.39 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.72 -1.237 . . . . 0.0 111.01 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.5 mt -73.15 -11.63 60.6 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.033 1.333 . . . . 0.0 111.334 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 59.5 t30 72.12 20.22 4.32 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.649 2.38 . . . . 0.0 112.641 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 42.5 m0 -84.26 16.09 3.21 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.337 1.855 . . . . 0.0 112.206 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.844 0 C-N-CA 126.933 2.093 . . . . 0.0 109.074 -178.529 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 118.239 -0.886 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.71 -57.69 7.7 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.328 1.051 . . . . 0.0 111.415 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 p -69.98 -38.15 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 124.0 0.92 . . . . 0.0 111.647 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -44.9 67.33 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.543 0.737 . . . . 0.0 111.034 173.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -62.18 -47.51 84.17 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 124.782 1.233 . . . . 0.0 109.783 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -62.75 -36.46 83.11 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.12 0.968 . . . . 0.0 111.585 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.85 -50.64 61.88 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 126.22 1.808 . . . . 0.0 109.867 175.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -57.27 -35.89 70.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.533 1.133 . . . . 0.0 109.988 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.3 tp -69.04 -53.23 21.54 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.806 1.243 . . . . 0.0 108.656 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -66.43 -36.4 82.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.85 -173.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.41 -50.11 74.88 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.984 0.914 . . . . 0.0 108.858 172.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.09 22.36 2.45 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.956 1.265 . . . . 0.0 114.892 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -65.69 -63.02 1.19 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 120.037 1.919 . . . . 0.0 111.468 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.61 26.42 0.05 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.699 1.6 . . . . 0.0 113.767 -174.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -55.14 -54.02 48.58 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 124.759 1.224 . . . . 0.0 111.015 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.26 -39.04 93.47 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.989 0.813 . . . . 0.0 111.97 -176.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.7 -55.16 38.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 175.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -57.51 -38.31 74.41 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.132 0.973 . . . . 0.0 113.002 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -56.26 -50.31 71.7 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.655 1.182 . . . . 0.0 109.81 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -73.43 -40.01 64.56 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.622 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.4 -34.49 66.78 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.063 1.745 . . . . 0.0 111.651 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.0 mtm -122.95 -6.57 8.44 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.597 -172.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m 60.91 85.33 0.12 Allowed 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.083 1.753 . . . . 0.0 110.465 -168.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -123.27 142.06 51.33 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -82.59 -176.57 6.32 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.547 0.612 . . . . 0.0 110.876 -171.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -9.25 57.37 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 119.934 -1.729 . . . . 0.0 112.706 176.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -27.92 69.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.486 0.314 . . . . 0.0 111.047 175.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.5 pt -65.3 -27.95 43.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 121.081 -1.012 . . . . 0.0 111.573 170.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -69.87 -40.09 75.92 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.748 1.219 . . . . 0.0 108.063 -176.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.41 -44.52 92.83 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.164 1.386 . . . . 0.0 110.237 169.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -55.85 24.9 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -60.96 -35.21 76.17 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.157 0.983 . . . . 0.0 111.677 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -63.33 -53.41 53.07 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.571 0.749 . . . . 0.0 109.944 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -69.5 -36.49 76.52 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 115.856 -2.021 . . . . 0.0 110.481 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -24.72 -51.35 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.35 1 C-N-CA 131.899 4.08 . . . . 0.0 114.382 -156.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.441 ' CH2' HG23 ' A' ' 122' ' ' ILE . 50.1 m95 -66.72 26.09 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.499 1.52 . . . . 0.0 113.652 171.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -86.77 146.35 26.28 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-O 122.775 1.274 . . . . 0.0 108.85 -176.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.32 102.93 0.1 Allowed 'General case' 0 N--CA 1.433 -1.307 0 C-N-CA 127.482 2.313 . . . . 0.0 107.43 158.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.58 -16.46 49.69 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 117.937 -1.48 . . . . 0.0 116.784 162.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -52.57 145.55 11.54 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 120.147 1.974 . . . . 0.0 109.961 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' CD ' ' HZ1' ' A' ' 44' ' ' LYS . 3.3 mt-10 -111.11 142.47 43.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 123.431 1.586 . . . . 0.0 113.617 176.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.6 mt -121.89 103.86 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 C-N-CA 128.282 2.633 . . . . 0.0 105.049 -170.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HZ1' ' CD ' ' A' ' 42' ' ' GLU . 38.5 mtmt -130.99 -10.89 3.79 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.327 0.651 . . . . 0.0 111.842 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.17 107.75 1.66 Allowed 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.613 1.565 . . . . 0.0 110.463 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -54.27 -25.39 23.23 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 121.146 -0.971 . . . . 0.0 112.733 173.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.98 -28.47 67.47 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.997 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.5 p -68.24 -41.11 81.67 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.958 1.254 . . . . 0.0 108.152 171.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.7 -51.73 53.1 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.167 1.365 . . . . 0.0 112.172 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -31.02 70.97 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.698 -0.884 . . . . 0.0 112.023 175.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.31 -52.19 66.69 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.22 0.918 . . . . 0.0 109.928 171.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.2 mt -51.15 -50.59 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 125.738 1.615 . . . . 0.0 108.892 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -43.07 91.62 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.231 0.468 . . . . 0.0 111.304 -177.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.2 -45.92 91.22 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.83 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.6 mt -54.86 -52.02 64.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.684 1.129 . . . . 0.0 108.946 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.4 m -50.42 -56.55 10.97 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.895 0.878 . . . . 0.0 111.911 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -44.4 90.81 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.681 1.128 . . . . 0.0 110.766 -177.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -64.6 -8.62 14.88 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.45 1.5 . . . . 0.0 113.314 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.4 mt -112.59 17.59 19.06 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.581 1.552 . . . . 0.0 110.24 175.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.42 HD21 ' ND2' ' A' ' 72' ' ' ASN . 9.2 t30 53.18 49.43 19.96 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 127.712 2.405 . . . . 0.0 111.304 -173.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.0 mtm -110.25 3.57 20.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 117.772 -1.108 . . . . 0.0 113.35 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.0 mt . . . . . 0 CA--C 1.515 -0.393 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 170.732 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 C--O 1.231 0.121 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -79.28 91.0 4.97 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.855 0.862 . . . . 0.0 109.813 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -59.57 -36.67 76.67 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -174.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.01 -60.35 8.18 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 174.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.42 ' ND2' HD21 ' A' ' 60' ' ' ASN . 3.8 m120 -58.99 -37.79 77.64 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.098 0.959 . . . . 0.0 111.454 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.25 -54.45 44.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.959 1.304 . . . . 0.0 110.731 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.6 ttm -61.33 -39.47 90.66 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.636 1.175 . . . . 0.0 111.758 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -56.59 -35.71 68.54 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.842 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.97 -36.23 81.72 Favored 'General case' 0 CA--C 1.523 -0.075 0 C-N-CA 123.812 0.845 . . . . 0.0 109.89 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.07 -56.08 17.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.66 9.9 0.58 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.116 1.367 . . . . 0.0 112.94 171.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -93.21 -26.74 17.24 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.375 -1.453 . . . . 0.0 111.098 168.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -105.35 -9.33 17.66 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.283 1.433 . . . . 0.0 112.788 -175.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.53 20.93 33.19 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-O 118.879 -0.956 . . . . 0.0 113.527 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.63 153.27 28.42 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 119.56 1.68 . . . . 0.0 108.194 170.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.63 164.0 25.01 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -74.77 -45.65 42.31 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.207 -0.933 . . . . 0.0 110.062 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.0 m -60.85 -40.16 91.84 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.603 0.638 . . . . 0.0 110.296 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.0 ttt -57.74 -51.35 69.92 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.23 -32.03 72.8 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.547 HE22 ' HB2' ' A' ' 92' ' ' ASP . 5.2 tm0? -59.9 -56.88 16.24 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 172.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -54.56 -44.94 73.37 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 125.267 1.427 . . . . 0.0 111.771 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.59 -13.53 22.63 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 117.555 -1.212 . . . . 0.0 112.618 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -102.17 -42.91 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-O 116.332 -1.794 . . . . 0.0 111.305 165.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.547 ' HB2' HE22 ' A' ' 88' ' ' GLN . 10.5 t70 -53.48 -48.53 68.83 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 121.666 2.03 . . . . 0.0 110.291 -177.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.39 -45.89 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 O-C-N 124.939 1.399 . . . . 0.0 108.323 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 79.5 t -67.81 -55.54 16.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 C-N-CA 125.519 1.528 . . . . 0.0 110.187 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -55.31 -41.4 72.34 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.72 1.208 . . . . 0.0 108.824 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -74.99 7.32 22.35 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 128.634 3.016 . . . . 0.0 113.912 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.6 m -120.93 -30.47 4.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.936 1.695 . . . . 0.0 110.59 165.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.87 -28.41 6.49 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 121.962 2.164 . . . . 0.0 113.975 -176.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.1 -47.93 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 m -51.76 -39.07 57.9 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 127.604 2.362 . . . . 0.0 114.295 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.4 m -74.17 114.78 36.5 Favored Pre-proline 0 N--CA 1.445 -0.701 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.13 129.06 16.58 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.071 1.847 . . . . 0.0 108.124 174.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -156.27 164.53 38.21 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.334 1.454 . . . . 0.0 108.786 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -64.23 179.85 0.52 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.745 1.618 . . . . 0.0 113.344 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.85 -38.54 2.2 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 128.143 2.577 . . . . 0.0 112.576 147.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -66.82 90.24 0.17 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 124.401 1.08 . . . . 0.0 109.925 -167.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.464 ' HD3' ' CE3' ' A' ' 110' ' ' TRP . 9.5 mmtp -56.69 -20.73 23.21 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.525 -1.359 . . . . 0.0 112.844 -173.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 59.0 m -61.36 -56.04 24.77 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.87 0.759 . . . . 0.0 110.53 167.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.7 mm -56.17 -51.48 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.175 1.39 . . . . 0.0 108.576 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.464 ' CE3' ' HD3' ' A' ' 107' ' ' LYS . 33.0 t90 -52.43 -56.26 16.24 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 125.762 1.625 . . . . 0.0 111.598 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.7 m -66.05 -34.88 79.09 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.811 0.732 . . . . 0.0 111.595 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.27 -52.92 49.99 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 167.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.93 -38.89 93.16 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-O 118.333 -1.26 . . . . 0.0 113.23 -171.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.08 -42.9 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 124.61 1.164 . . . . 0.0 108.758 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.11 79.3 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.925 175.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 56.0 m -64.63 -46.17 83.68 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 121.11 1.777 . . . . 0.0 112.676 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.8 p -63.32 -52.18 62.93 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 118.638 0.654 . . . . 0.0 109.586 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -50.34 -49.51 53.75 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.776 1.23 . . . . 0.0 110.991 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -51.12 -52.85 39.87 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.168 0.987 . . . . 0.0 110.954 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.68 -41.05 55.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.191 0.45 . . . . 0.0 111.213 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.1 -41.18 95.21 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 117.867 -1.063 . . . . 0.0 110.946 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.441 HG23 ' CH2' ' A' ' 37' ' ' TRP . 11.9 mm -59.01 -45.95 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 120.316 1.416 . . . . 0.0 109.573 177.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -59.35 -49.54 77.43 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 119.106 -0.473 . . . . 0.0 110.921 174.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -55.32 -44.55 75.95 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.553 1.07 . . . . 0.0 110.874 174.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 27.7 mt -64.96 -7.67 12.59 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 126.893 2.077 . . . . 0.0 112.009 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.5 t30 56.09 37.75 29.17 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.94 1.696 . . . . 0.0 111.045 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -92.89 13.53 20.22 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.728 2.411 . . . . 0.0 112.177 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.321 0 C-N-CA 131.452 3.901 . . . . 0.0 108.006 -158.478 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 118.94 -0.552 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -52.96 -47.83 67.83 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.788 1.235 . . . . 0.0 110.077 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.33 -53.42 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 124.522 1.129 . . . . 0.0 109.334 174.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.3 tpt -56.56 -37.2 70.22 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 119.839 -1.788 . . . . 0.0 111.389 -173.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -36.77 72.31 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.357 175.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -57.62 -36.87 72.38 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.422 1.089 . . . . 0.0 112.032 169.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.9 mp -64.19 -49.3 72.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -31.58 70.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.49 1.116 . . . . 0.0 111.055 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 tp -67.24 -37.2 83.16 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.873 1.269 . . . . 0.0 109.068 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -95.29 -28.36 15.03 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.011 -170.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.44 -52.39 65.41 Favored 'General case' 0 N--CA 1.442 -0.846 0 O-C-N 121.807 -0.558 . . . . 0.0 109.547 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.48 21.49 17.53 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 117.542 -1.699 . . . . 0.0 114.469 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -49.0 -51.66 29.38 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 121.134 2.467 . . . . 0.0 110.494 173.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.33 16.43 2.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.977 1.311 . . . . 0.0 112.855 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -56.25 13.86 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 119.952 1.251 . . . . 0.0 110.373 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -25.64 59.45 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 118.95 -1.1 . . . . 0.0 109.889 -169.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.82 -59.29 5.36 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 172.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.68 -23.08 39.4 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.547 1.539 . . . . 0.0 112.814 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -66.6 -60.08 3.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 121.208 -0.932 . . . . 0.0 109.897 168.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -64.27 -32.81 74.55 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.311 0.959 . . . . 0.0 111.553 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.11 -30.4 59.64 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 124.897 1.279 . . . . 0.0 113.688 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.7 mtm -126.96 1.42 6.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.476 1.11 . . . . 0.0 113.103 -170.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.4 m 43.18 83.97 0.02 OUTLIER 'General case' 0 C--O 1.242 0.671 0 C-N-CA 125.733 1.613 . . . . 0.0 111.414 -157.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.4 mt -112.7 151.91 29.67 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.176 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.7 p -81.08 173.91 12.11 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.593 1.557 . . . . 0.0 111.645 -168.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -92.17 -6.28 50.99 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.38 -1.45 . . . . 0.0 111.315 172.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.69 -26.55 65.67 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.759 0.824 . . . . 0.0 111.513 165.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pt -75.83 -32.48 23.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 CA-C-N 119.01 0.823 . . . . 0.0 110.741 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -35.82 63.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.238 166.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.72 -11.69 60.23 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 174.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -78.6 -72.13 0.39 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.771 1.229 . . . . 0.0 108.007 162.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -44.44 -44.19 8.27 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.029 1.732 . . . . 0.0 112.555 -173.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -58.05 -54.41 47.24 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.123 1.769 . . . . 0.0 112.337 175.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -94.21 8.67 40.89 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.993 2.117 . . . . 0.0 112.135 -172.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -54.06 -29.4 43.96 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.208 1.403 . . . . 0.0 112.105 -173.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -106.2 24.85 11.8 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.173 2.189 . . . . 0.0 114.455 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -65.98 162.47 19.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 120.502 -1.374 . . . . 0.0 110.467 168.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.2 24.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.984 2.514 . . . . 0.0 116.946 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 169.01 15.17 0.02 OUTLIER Glycine 0 N--CA 1.464 0.516 0 O-C-N 121.01 -1.056 . . . . 0.0 113.612 173.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -71.35 126.83 30.67 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 117.301 0.55 . . . . 0.0 111.891 -170.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -101.11 158.04 16.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.139 0.976 . . . . 0.0 112.633 163.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.4 mt -129.12 110.47 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 129.037 2.935 . . . . 0.0 105.872 -157.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -122.89 -18.36 6.49 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -171.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -78.38 110.75 13.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 120.402 1.455 . . . . 0.0 109.507 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -21.79 47.95 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 120.452 -1.405 . . . . 0.0 112.121 169.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -57.43 -33.07 67.53 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.023 172.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.2 p -70.96 -42.0 70.32 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 120.459 1.481 . . . . 0.0 109.08 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.8 -50.23 32.5 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.267 1.413 . . . . 0.0 111.282 171.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -30.62 67.07 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 118.123 -0.941 . . . . 0.0 113.396 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.58 -52.73 64.21 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 120.329 1.422 . . . . 0.0 108.753 167.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.8 mt -50.02 -45.36 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-N 119.624 1.102 . . . . 0.0 109.936 -176.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.1 ttp -61.63 -48.79 79.28 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.729 0.695 . . . . 0.0 111.639 174.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.9 t -56.01 -57.21 13.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.446 1.098 . . . . 0.0 112.167 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -49.58 -46.73 49.39 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.181 1.392 . . . . 0.0 111.817 172.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.1 m -53.11 -53.34 51.85 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.008 0.822 . . . . 0.0 111.222 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -50.1 -52.66 33.06 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.178 0.899 . . . . 0.0 110.771 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -63.93 -14.62 55.08 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -171.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -104.39 10.03 35.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 119.232 0.923 . . . . 0.0 111.583 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t30 58.47 36.36 25.27 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.922 1.689 . . . . 0.0 110.338 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 34.3 mtp -89.33 -6.44 56.69 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.789 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 171.043 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.0 tp . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -84.51 92.74 8.17 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.739 1.216 . . . . 0.0 109.658 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -50.42 -34.59 25.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -172.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.17 -72.25 0.67 Allowed Glycine 0 C--N 1.339 0.7 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -45.82 -41.69 11.35 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.077 1.351 . . . . 0.0 113.711 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.15 -50.37 61.88 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.454 0.702 . . . . 0.0 110.738 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 16.5 ttm -74.5 -30.82 61.96 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.925 1.29 . . . . 0.0 112.166 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -58.12 -52.16 66.7 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 173.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -49.17 -46.48 45.48 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 126.747 2.019 . . . . 0.0 109.136 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.25 -65.15 0.73 Allowed 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 122.757 0.423 . . . . 0.0 110.427 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -56.44 -38.24 71.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.212 1.005 . . . . 0.0 109.736 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -53.71 -57.85 9.32 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 127.0 2.12 . . . . 0.0 111.789 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -74.35 -3.56 31.09 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.681 -0.676 . . . . 0.0 112.153 -171.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.06 4.62 12.31 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 127.025 2.25 . . . . 0.0 113.229 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.9 156.55 34.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 119.58 1.69 . . . . 0.0 112.056 -167.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.77 162.41 18.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 113.32 -1.764 . . . . 0.0 108.137 -176.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.4 -59.24 5.57 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.238 1.815 . . . . 0.0 111.268 -175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.4 m -69.55 -30.97 68.9 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.691 -0.631 . . . . 0.0 110.489 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.1 ttt -55.7 -59.49 4.78 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 170.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.17 73.56 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.085 -174.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -62.7 -46.9 85.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.872 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -49.62 -60.29 3.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.343 174.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -50.94 -47.09 61.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 120.026 1.285 . . . . 0.0 112.998 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.19 -39.11 80.68 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 118.744 -1.182 . . . . 0.0 109.713 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -60.31 -43.75 96.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 120.345 1.429 . . . . 0.0 110.693 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.3 mt -70.61 -47.58 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 118.625 0.648 . . . . 0.0 109.74 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.7 t -59.85 -60.79 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -56.53 -33.7 66.32 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.401 1.08 . . . . 0.0 109.357 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.42 -67.65 2.02 Favored Glycine 0 C--N 1.338 0.689 0 C-N-CA 126.353 1.93 . . . . 0.0 111.375 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.8 m -48.88 -36.16 16.42 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.024 1.729 . . . . 0.0 110.376 175.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.58 -13.0 2.05 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 121.643 2.02 . . . . 0.0 113.424 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.93 -43.04 2.36 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.293 1.406 . . . . 0.0 111.711 166.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 m -53.25 -38.25 62.82 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.958 1.303 . . . . 0.0 112.29 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -75.11 120.4 81.45 Favored Pre-proline 0 N--CA 1.447 -0.578 0 CA-C-N 118.577 0.626 . . . . 0.0 109.477 174.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -81.17 145.75 15.48 Favored 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 122.957 2.438 . . . . 0.0 108.879 170.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.07 164.3 38.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.755 0.822 . . . . 0.0 109.113 168.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.9 169.92 1.74 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.729 151.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -57.65 -9.32 1.13 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.232 2.213 . . . . 0.0 113.343 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.59 94.98 0.07 Allowed 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.957 -1.089 . . . . 0.0 108.155 173.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.542 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -54.75 -29.84 54.88 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.998 -1.064 . . . . 0.0 110.955 178.274 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.47 -57.02 13.83 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.18 -50.37 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.931 1.292 . . . . 0.0 109.188 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.542 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 35.9 t90 -51.5 -61.47 2.22 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 125.687 1.595 . . . . 0.0 111.083 178.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 m -62.58 -34.47 77.04 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.154 0.582 . . . . 0.0 111.503 -175.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.89 -51.92 67.63 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.209 1.404 . . . . 0.0 109.351 169.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.36 -41.3 98.41 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.08 -0.844 . . . . 0.0 111.25 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.32 -51.42 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 124.094 0.958 . . . . 0.0 108.836 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.93 -31.24 71.55 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 118.813 -0.613 . . . . 0.0 111.406 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.4 m -68.88 -48.5 63.24 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.499 1.045 . . . . 0.0 111.378 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.9 p -67.33 -42.46 83.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.878 0.763 . . . . 0.0 110.515 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -58.41 -55.44 34.94 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.825 1.25 . . . . 0.0 110.729 176.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -43.15 -58.74 2.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.579 1.551 . . . . 0.0 109.634 175.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.53 -21.91 29.43 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -175.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -44.99 38.6 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.168 1.387 . . . . 0.0 109.518 178.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 26.1 mm -59.02 -37.38 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 125.98 1.712 . . . . 0.0 108.08 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -59.6 -50.83 72.35 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.8 1.24 . . . . 0.0 112.64 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -48.83 -54.97 13.02 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 121.154 1.797 . . . . 0.0 110.826 172.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.91 -3.05 14.23 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.692 1.197 . . . . 0.0 113.397 -176.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.0 t30 56.95 22.81 7.57 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.877 2.071 . . . . 0.0 112.868 -178.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 50.8 m0 -73.25 12.0 0.65 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.161 1.385 . . . . 0.0 111.882 172.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.582 1.953 . . . . 0.0 107.052 176.229 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 117.682 -1.151 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -49.4 -50.35 40.79 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.001 1.381 . . . . 0.0 109.807 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.28 -39.02 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.533 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -46.42 74.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.926 0.89 . . . . 0.0 109.986 176.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -60.96 -46.3 91.25 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 117.706 -1.14 . . . . 0.0 110.966 175.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -66.27 -33.81 76.59 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.684 1.129 . . . . 0.0 112.607 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.82 -52.94 62.13 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 173.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -65.34 -0.35 1.8 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.167 1.387 . . . . 0.0 112.718 175.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 tp -101.27 -57.54 2.07 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.776 1.23 . . . . 0.0 109.037 174.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -63.94 -27.79 69.38 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.341 1.456 . . . . 0.0 112.294 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -57.56 -52.94 63.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 168.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.97 27.12 2.71 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.649 1.595 . . . . 0.0 114.201 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -67.02 -65.27 0.7 Allowed 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 119.637 1.719 . . . . 0.0 110.452 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.61 44.92 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.14 0.976 . . . . 0.0 110.939 -175.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -69.53 -55.57 9.81 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.042 -1.037 . . . . 0.0 110.06 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -68.54 -26.67 65.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.196 0.907 . . . . 0.0 111.114 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.96 -72.34 0.07 Allowed 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 124.441 1.096 . . . . 0.0 108.283 164.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.3 m -55.63 -26.84 46.44 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.806 1.242 . . . . 0.0 113.882 -177.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -62.95 -49.44 74.73 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.865 1.266 . . . . 0.0 109.922 170.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -72.63 -34.2 67.17 Favored 'General case' 0 N--CA 1.424 -1.734 0 C-N-CA 125.813 1.645 . . . . 0.0 109.93 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.41 -43.58 92.98 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 120.809 1.64 . . . . 0.0 110.531 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.8 mtm -121.17 7.18 10.24 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -167.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m 47.52 77.66 0.09 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.99 1.716 . . . . 0.0 110.309 -171.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.5 mt -114.9 140.15 49.21 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 106.201 -1.777 . . . . 0.0 106.201 176.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.1 p -82.21 -177.19 6.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.22 1.01 . . . . 0.0 110.939 -161.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -19.76 61.25 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 118.186 -0.911 . . . . 0.0 112.503 171.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.25 -24.74 67.77 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.046 1.294 . . . . 0.0 112.079 -171.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.0 pt -68.25 -24.52 29.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-O 118.335 -0.841 . . . . 0.0 111.455 174.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -66.9 -27.65 67.67 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 120.314 1.416 . . . . 0.0 108.634 172.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.0 -40.36 62.99 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 120.61 1.55 . . . . 0.0 109.964 171.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -65.81 -42.53 90.53 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 118.85 0.75 . . . . 0.0 110.105 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.96 -32.36 61.7 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.193 1.397 . . . . 0.0 112.67 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -62.44 1.54 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 170.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -70.39 -3.39 17.28 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 116.373 -1.775 . . . . 0.0 112.159 -176.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -43.62 -61.93 1.25 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 121.698 2.044 . . . . 0.0 110.518 -170.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.434 ' CH2' HG23 ' A' ' 122' ' ' ILE . 49.6 m95 -72.52 17.06 0.12 Allowed 'General case' 0 C--O 1.239 0.545 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -56.49 161.56 2.6 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 120.821 1.646 . . . . 0.0 109.111 167.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -58.87 111.67 1.37 Allowed 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 113.197 -1.82 . . . . 0.0 107.549 152.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.4 -6.96 62.39 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-O 117.254 -1.859 . . . . 0.0 117.077 159.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -50.41 132.12 24.75 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 120.77 2.285 . . . . 0.0 112.917 -171.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -102.49 141.17 35.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-O 122.729 1.252 . . . . 0.0 111.697 170.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.8 mt -113.24 120.17 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 -172.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.32 -16.54 7.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 118.887 -0.578 . . . . 0.0 111.802 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -59.95 105.15 0.36 Allowed 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -53.64 -25.52 18.19 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 123.239 0.616 . . . . 0.0 111.232 164.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.12 -32.83 68.49 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.32 1.048 . . . . 0.0 110.379 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.6 p -67.0 -46.76 73.55 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.16 -55.34 16.0 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 125.18 1.372 . . . . 0.0 110.662 174.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -40.69 93.24 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 122.13 -0.63 . . . . 0.0 111.951 177.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.86 -57.19 14.15 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.073 0.851 . . . . 0.0 109.699 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.0 mt -48.41 -45.73 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 126.889 2.076 . . . . 0.0 109.816 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 41.5 ttp -57.72 -53.94 52.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.423 0.689 . . . . 0.0 110.147 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.1 t -60.52 -38.84 85.69 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.196 0.599 . . . . 0.0 111.821 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.44 -52.24 66.06 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 176.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.83 -48.53 50.89 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.993 1.317 . . . . 0.0 109.901 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 m -51.86 -56.17 15.67 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 177.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -67.4 -16.75 64.41 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.292 1.437 . . . . 0.0 114.059 -170.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.37 6.64 19.27 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 120.55 1.523 . . . . 0.0 111.476 169.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.553 ' HB3' HD21 ' A' ' 72' ' ' ASN . 2.3 t30 63.08 24.21 14.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.865 2.066 . . . . 0.0 111.356 -170.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 56.2 mtm -80.96 -5.29 57.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.947 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -175.403 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 C--O 1.234 0.251 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -78.59 96.15 5.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.168 1.387 . . . . 0.0 108.991 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -44.95 -54.17 6.83 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 126.63 1.972 . . . . 0.0 112.155 -177.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.89 -64.21 4.33 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 123.706 0.669 . . . . 0.0 111.851 -176.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.553 HD21 ' HB3' ' A' ' 60' ' ' ASN . 4.5 m-20 -63.96 -36.45 83.99 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 123.235 0.614 . . . . 0.0 112.365 -176.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.63 -47.16 77.08 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.163 0.585 . . . . 0.0 111.133 171.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ttm -69.43 -40.53 77.18 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.261 0.482 . . . . 0.0 111.289 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.83 -45.57 89.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 118.163 0.438 . . . . 0.0 109.864 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -53.36 -46.12 69.43 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.471 0.708 . . . . 0.0 110.305 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.09 -63.18 1.4 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.263 0.625 . . . . 0.0 111.094 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -55.46 -45.2 76.9 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 123.526 0.73 . . . . 0.0 110.214 -172.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -45.84 -49.06 15.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.77 1.628 . . . . 0.0 111.972 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -70.76 -11.77 61.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.631 -175.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.48 6.1 20.16 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.167 1.365 . . . . 0.0 112.2 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.95 152.22 46.15 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 119.068 1.434 . . . . 0.0 110.354 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.64 159.38 33.55 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 125.002 1.321 . . . . 0.0 109.346 170.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -59.85 -50.8 72.38 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 124.888 1.275 . . . . 0.0 111.572 169.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.5 m -61.46 -47.08 87.31 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.9 ttp -54.7 -55.2 32.38 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.74 70.39 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.852 -1.155 . . . . 0.0 112.577 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -54.33 31.24 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 117.938 -1.03 . . . . 0.0 108.613 172.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -48.66 -55.96 9.85 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.702 1.601 . . . . 0.0 110.989 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 mp -46.17 -54.35 8.84 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.05 1.34 . . . . 0.0 111.27 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.09 -37.57 72.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.43 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.22 -33.97 77.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 120.766 1.621 . . . . 0.0 111.67 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.8 mt -81.02 -52.53 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 C-N-CA 124.782 1.233 . . . . 0.0 109.006 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.0 t -56.72 -55.7 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 119.246 0.93 . . . . 0.0 108.558 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -59.28 -36.21 75.16 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.034 -1.041 . . . . 0.0 110.498 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.36 22.48 7.28 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 128.596 2.998 . . . . 0.0 113.578 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.7 m -130.17 -50.07 1.1 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 128.017 2.527 . . . . 0.0 105.927 168.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.64 -30.01 0.34 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 121.367 1.894 . . . . 0.0 115.023 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.36 -26.66 4.22 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.683 1.129 . . . . 0.0 112.818 171.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -35.37 79.97 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.177 0.898 . . . . 0.0 111.0 -178.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 m -63.95 122.82 79.45 Favored Pre-proline 0 N--CA 1.44 -0.97 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 173.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.72 145.45 32.63 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.91 1.74 . . . . 0.0 108.274 163.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -158.05 173.09 17.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 122.881 0.473 . . . . 0.0 110.398 177.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.419 ' CB ' ' H ' ' A' ' 106' ' ' ASP . 33.0 m-20 -63.66 173.94 1.54 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 162.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -69.64 -5.8 27.1 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.95 0.9 . . . . 0.0 112.587 158.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.419 ' H ' ' CB ' ' A' ' 104' ' ' ASN . 58.5 t0 -64.82 100.26 0.39 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 167.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -33.55 9.47 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.837 1.655 . . . . 0.0 113.193 173.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 39.5 m -66.34 -46.55 76.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.003 0.82 . . . . 0.0 110.151 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.1 mm -63.9 -47.78 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.2 1.0 . . . . 0.0 108.559 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 34.3 t90 -48.56 -65.87 0.5 Allowed 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 125.904 1.681 . . . . 0.0 111.628 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 92.3 m -63.66 -23.93 67.58 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 118.846 -1.142 . . . . 0.0 111.617 -175.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -56.81 17.25 Favored 'General case' 0 C--N 1.343 0.314 0 O-C-N 120.774 -1.204 . . . . 0.0 109.843 171.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.61 96.39 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-O 119.279 -0.734 . . . . 0.0 111.417 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 38.0 t -56.72 -55.99 16.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 124.739 1.216 . . . . 0.0 107.965 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.94 -32.55 73.06 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 121.348 -0.845 . . . . 0.0 111.418 -177.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.4 m -74.0 -14.12 60.97 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.834 1.197 . . . . 0.0 112.209 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.6 p -83.87 -44.92 13.8 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.758 1.617 . . . . 0.0 110.919 161.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -58.16 -14.85 7.8 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 171.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -73.77 -63.01 1.3 Allowed 'General case' 0 C--O 1.224 -0.248 0 O-C-N 118.75 -2.469 . . . . 0.0 108.382 170.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.45 -43.95 68.5 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 124.555 1.142 . . . . 0.0 112.194 -166.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -41.88 66.86 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.084 1.354 . . . . 0.0 112.242 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.434 HG23 ' CH2' ' A' ' 37' ' ' TRP . 27.5 mm -64.13 -47.11 91.53 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -175.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -57.5 -43.27 84.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.07 0.548 . . . . 0.0 111.678 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.02 -49.5 77.66 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 120.036 1.289 . . . . 0.0 111.614 172.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.42 -2.95 2.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.653 1.181 . . . . 0.0 112.369 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 65.5 t30 51.89 36.22 17.67 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 126.562 1.945 . . . . 0.0 111.372 -174.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -87.65 2.45 50.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.722 1.609 . . . . 0.0 113.524 -170.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-N 119.598 1.09 . . . . 0.0 111.709 171.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 . . . . . 0 CA--C 1.534 0.363 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.965 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -52.22 -49.92 63.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.683 1.193 . . . . 0.0 112.198 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -73.3 -50.17 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.7 tpt -47.68 -52.36 18.53 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 125.789 1.636 . . . . 0.0 112.256 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.31 -55.85 18.74 Favored 'General case' 0 C--O 1.231 0.093 0 C-N-CA 125.635 1.574 . . . . 0.0 109.68 174.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -64.54 -34.72 78.9 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -175.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.59 -58.83 6.84 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.43 16.23 0.11 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.078 1.751 . . . . 0.0 112.816 -178.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 tt -119.54 -55.23 2.13 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 127.445 2.298 . . . . 0.0 107.59 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -53.7 -46.4 70.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 125.547 1.539 . . . . 0.0 110.82 171.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -46.7 -41.75 15.53 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.721 1.208 . . . . 0.0 111.413 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.16 10.4 73.2 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 118.08 -1.4 . . . . 0.0 114.986 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -63.78 1.18 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.265 2.033 . . . . 0.0 111.263 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.49 27.05 0.16 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.968 1.307 . . . . 0.0 112.182 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.9 tp -57.46 -56.69 18.61 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 124.65 1.18 . . . . 0.0 109.646 175.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.55 -32.89 74.48 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.634 0.774 . . . . 0.0 111.912 -171.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -59.46 -64.53 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.198 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -53.15 -34.66 57.8 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.474 1.11 . . . . 0.0 112.838 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -56.1 -61.43 2.39 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.824 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -34.76 78.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.599 1.09 . . . . 0.0 110.898 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.58 -33.9 70.48 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.3 0.954 . . . . 0.0 112.823 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.0 mtm -118.28 3.26 11.96 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.825 0.85 . . . . 0.0 112.52 -174.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.0 m 49.85 70.04 0.54 Allowed 'General case' 0 C--O 1.24 0.553 0 C-N-CA 125.259 1.424 . . . . 0.0 111.155 -166.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 mt -106.15 164.19 12.19 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 169.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -106.46 177.96 4.7 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.26 -154.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -11.18 45.34 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 121.181 -0.95 . . . . 0.0 112.874 170.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.25 -25.86 67.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.301 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 pt -64.62 -30.2 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 118.504 0.593 . . . . 0.0 111.238 172.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.67 -36.31 82.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -40.99 96.1 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.607 0.763 . . . . 0.0 110.778 173.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -55.62 32.0 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -61.24 -40.19 93.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.849 0.859 . . . . 0.0 111.477 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -62.34 -38.87 91.15 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.18 1.392 . . . . 0.0 112.031 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -98.07 13.45 30.96 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.059 1.344 . . . . 0.0 111.188 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.65 -29.51 70.08 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 119.557 -1.964 . . . . 0.0 111.577 -171.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -102.9 33.88 3.07 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 125.31 1.444 . . . . 0.0 112.58 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -70.23 -171.5 0.46 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.262 1.825 . . . . 0.0 111.66 170.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.77 24.79 10.07 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.575 1.95 . . . . 0.0 114.649 -171.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.77 20.4 0.03 OUTLIER Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.298 1.427 . . . . 0.0 112.78 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -65.53 161.5 20.03 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.431 1.092 . . . . 0.0 109.896 172.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' OE1' ' HE2' ' A' ' 44' ' ' LYS . 36.8 tt0 -141.02 144.93 35.29 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 126.669 1.988 . . . . 0.0 108.836 170.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.7 mt -113.3 114.02 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 129.355 3.062 . . . . 0.0 105.455 -174.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HE2' ' OE1' ' A' ' 42' ' ' GLU . 51.0 mtmt -138.19 0.05 2.09 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -72.87 122.98 22.5 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 120.871 1.669 . . . . 0.0 109.12 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -54.75 -30.79 57.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.499 -0.751 . . . . 0.0 111.009 168.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.09 -33.73 76.07 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 118.78 -0.628 . . . . 0.0 109.872 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.1 p -71.89 -38.99 69.9 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.088 0.858 . . . . 0.0 109.489 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -54.67 -50.16 58.67 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.21 0.909 . . . . 0.0 112.554 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -32.85 72.73 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 117.305 0.553 . . . . 0.0 111.963 176.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.11 -52.7 64.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 118.958 0.799 . . . . 0.0 109.803 174.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.0 mt -52.53 -49.57 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.836 1.655 . . . . 0.0 109.088 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.6 ttp -62.06 -43.14 99.49 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.891 0.769 . . . . 0.0 112.532 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 23.0 t -65.54 -38.14 88.75 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.64 -0.662 . . . . 0.0 110.632 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.0 mt -57.49 -53.64 55.85 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 170.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.76 -42.4 35.45 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.38 0.991 . . . . 0.0 112.269 178.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.1 m -56.39 -63.93 1.03 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -63.18 -18.18 63.21 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 126.589 1.956 . . . . 0.0 112.942 -171.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.2 mt -84.95 7.88 19.63 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.609 1.164 . . . . 0.0 111.181 175.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.1 t30 54.55 34.89 22.22 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.092 1.757 . . . . 0.0 110.709 -172.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.8 mtm -95.5 -0.88 51.71 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.632 -0.667 . . . . 0.0 111.729 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -176.811 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -116.01 93.37 4.22 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 126.048 1.739 . . . . 0.0 108.229 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -47.2 -41.13 17.6 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.79 0.836 . . . . 0.0 113.048 -172.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -48.79 -76.34 0.16 Allowed Glycine 0 C--N 1.341 0.808 0 C-N-CA 124.49 1.043 . . . . 0.0 111.794 170.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -57.26 -32.77 66.92 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.008 1.404 . . . . 0.0 113.695 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.85 -55.91 26.94 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.946 1.248 . . . . 0.0 111.044 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.3 ttm -65.65 -39.23 91.18 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.299 1.039 . . . . 0.0 109.645 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.03 -56.93 14.83 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.871 1.668 . . . . 0.0 109.761 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.07 -48.35 44.2 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.114 0.966 . . . . 0.0 109.312 -175.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.77 -68.5 0.18 Allowed 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 123.772 0.829 . . . . 0.0 109.887 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -67.38 -16.75 64.42 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.159 1.383 . . . . 0.0 113.568 -170.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -66.77 -58.34 5.27 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 128.472 2.709 . . . . 0.0 109.804 167.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -73.06 -14.63 61.44 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 117.439 -1.267 . . . . 0.0 113.31 -170.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 134.19 5.51 2.67 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.782 1.182 . . . . 0.0 113.619 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.12 147.96 31.17 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 119.054 1.427 . . . . 0.0 111.27 -167.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.31 165.32 23.96 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 113.956 -1.474 . . . . 0.0 109.858 173.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -51.05 28.2 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.04 0.536 . . . . 0.0 110.85 -177.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.7 m -60.52 -41.75 95.02 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.547 0.612 . . . . 0.0 110.086 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.4 ttt -59.07 -44.96 91.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.699 0.8 . . . . 0.0 109.923 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.35 -37.31 83.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.284 -0.865 . . . . 0.0 111.561 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -55.55 33.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -51.95 -46.41 64.75 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.646 1.578 . . . . 0.0 111.321 175.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.53 -16.81 27.34 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 117.64 -1.171 . . . . 0.0 113.322 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -107.41 -35.99 3.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 117.548 -1.215 . . . . 0.0 111.092 172.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.22 -34.7 78.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 121.174 1.806 . . . . 0.0 111.421 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.79 -48.37 51.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.5 t -62.59 -66.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.932 1.293 . . . . 0.0 110.076 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -57.16 -27.26 61.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.735 1.614 . . . . 0.0 110.693 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.39 -62.61 4.72 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 173.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.8 m -58.9 -31.42 68.6 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.854 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -55.01 -12.25 0.81 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.16 1.345 . . . . 0.0 113.509 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -121.25 -47.35 2.26 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.367 1.867 . . . . 0.0 109.689 173.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 m -60.48 -47.99 83.73 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.006 1.722 . . . . 0.0 113.771 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.1 m -62.37 126.77 88.7 Favored Pre-proline 0 C--O 1.238 0.455 0 C-N-CA 124.197 0.999 . . . . 0.0 110.044 -172.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.9 129.33 14.19 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 122.478 2.119 . . . . 0.0 108.391 167.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.98 -177.24 5.12 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.994 1.718 . . . . 0.0 107.672 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.293 0.7 OUTLIER -109.12 171.7 7.28 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 163.268 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -52.81 -14.16 0.51 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.948 1.699 . . . . 0.0 113.504 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -68.04 94.26 0.48 Allowed 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.558 1.543 . . . . 0.0 110.291 172.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.42 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 5.7 mmpt? -54.66 -23.83 19.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.501 0.72 . . . . 0.0 112.705 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 62.7 m -59.24 -56.64 19.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.738 0.699 . . . . 0.0 110.081 169.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -41.22 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 124.583 1.153 . . . . 0.0 109.744 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.42 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 33.4 t90 -50.47 -62.07 1.81 Allowed 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 124.409 1.083 . . . . 0.0 111.088 172.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.9 m -63.26 -32.14 73.47 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.127 0.421 . . . . 0.0 111.742 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.43 -48.15 72.02 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.05 -1.031 . . . . 0.0 109.959 167.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.47 -46.23 86.43 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.085 -0.842 . . . . 0.0 111.544 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.53 -47.85 90.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.173 0.989 . . . . 0.0 109.73 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.29 -32.81 74.65 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.793 -1.192 . . . . 0.0 111.181 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.7 m -71.8 -45.54 61.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.394 -0.812 . . . . 0.0 112.117 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 21.4 p -62.0 -42.62 99.35 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.117 1.326 . . . . 0.0 109.0 176.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -58.25 -47.9 82.12 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.6 1.16 . . . . 0.0 111.063 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -49.33 -50.79 38.09 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.99 0.916 . . . . 0.0 111.259 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.53 -38.39 59.61 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.22 0.464 . . . . 0.0 112.148 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -62.45 -42.55 99.54 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 118.911 0.778 . . . . 0.0 110.123 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.6 mm -59.11 -37.25 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.476 1.51 . . . . 0.0 109.722 -177.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -62.93 -52.87 61.39 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.163 0.585 . . . . 0.0 110.363 172.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -45.78 88.88 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.044 -1.035 . . . . 0.0 112.208 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.22 -10.36 15.22 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.377 1.871 . . . . 0.0 112.083 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.3 t30 62.2 34.98 15.78 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.386 1.474 . . . . 0.0 111.167 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -89.18 19.19 4.43 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.402 1.881 . . . . 0.0 112.383 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 C-N-CA 124.939 1.295 . . . . 0.0 110.174 171.749 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 . . . . . 0 N--CA 1.471 0.616 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -48.83 -69.8 0.11 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.094 1.358 . . . . 0.0 109.074 172.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.8 p -65.97 -37.16 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 C-N-CA 123.906 0.882 . . . . 0.0 111.967 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -46.32 70.65 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.442 0.297 . . . . 0.0 110.682 -176.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -60.96 -48.92 79.57 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 121.35 -0.844 . . . . 0.0 110.772 173.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -62.66 -34.69 77.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -173.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.23 -56.03 27.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.282 1.433 . . . . 0.0 108.791 170.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 m -58.87 -32.0 69.07 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.0 tp -70.21 -49.92 45.33 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.489 1.516 . . . . 0.0 108.504 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -75.91 -29.56 58.46 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 114.173 -1.376 . . . . 0.0 111.52 -174.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -56.73 -53.2 60.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 165.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.21 -1.68 7.79 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-O 118.433 -1.204 . . . . 0.0 115.255 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -57.49 -34.49 69.11 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 121.042 2.421 . . . . 0.0 112.642 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.42 10.42 41.42 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.55 -55.26 31.12 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 125.368 1.467 . . . . 0.0 108.203 -178.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -72.48 -30.24 64.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.051 -167.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.15 -60.52 3.62 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 m -54.28 -40.41 67.81 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.099 0.959 . . . . 0.0 109.409 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -53.4 -60.26 3.53 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 125.03 1.332 . . . . 0.0 109.206 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -69.65 -33.92 73.28 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 118.883 -1.127 . . . . 0.0 110.513 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -59.51 -33.33 71.22 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.638 1.175 . . . . 0.0 113.693 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.0 mtp -113.76 3.17 15.43 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.598 1.159 . . . . 0.0 111.146 -173.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m 42.46 78.92 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.134 1.773 . . . . 0.0 111.168 -161.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mt -117.49 154.42 31.46 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 106.76 -1.571 . . . . 0.0 106.76 168.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.1 p -93.53 161.13 14.49 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 123.372 0.669 . . . . 0.0 110.288 -161.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -67.73 -13.74 62.36 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.368 1.067 . . . . 0.0 111.862 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.8 -34.2 52.52 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 119.222 -0.418 . . . . 0.0 111.899 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 pt -79.82 -14.02 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.086 0.857 . . . . 0.0 112.808 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -62.29 -41.08 98.2 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 173.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -45.86 81.25 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.322 1.449 . . . . 0.0 110.816 170.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -70.15 -14.96 62.88 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.498 1.119 . . . . 0.0 112.402 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -100.47 -36.51 9.18 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.639 1.576 . . . . 0.0 111.844 175.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -68.12 -65.18 0.73 Allowed 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 126.897 2.079 . . . . 0.0 108.894 175.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -77.17 12.59 1.39 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.492 1.117 . . . . 0.0 111.19 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -54.48 -37.49 65.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 120.31 1.414 . . . . 0.0 109.871 173.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -97.03 66.11 2.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.67 1.588 . . . . 0.0 109.48 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.98 173.69 6.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 128.653 2.781 . . . . 0.0 110.532 167.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.23 49.5 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.097 1.359 . . . . 0.0 113.115 -170.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.25 52.56 0.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 107.865 -2.094 . . . . 0.0 107.865 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -88.66 147.39 24.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 162.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.75 134.4 55.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.783 0.801 . . . . 0.0 112.669 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.1 mt -113.7 107.8 23.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 127.671 2.388 . . . . 0.0 106.042 -167.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 -14.78 3.92 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.172 -0.918 . . . . 0.0 113.338 -175.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -64.63 122.52 17.03 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 120.346 1.43 . . . . 0.0 109.38 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -57.94 -25.9 61.54 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.731 -0.605 . . . . 0.0 110.596 175.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.15 -20.29 66.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.344 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 p -71.89 -48.31 46.58 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.911 1.232 . . . . 0.0 108.715 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.47 -45.92 88.62 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 124.544 1.069 . . . . 0.0 111.994 -173.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -40.39 97.59 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.535 -0.333 . . . . 0.0 111.818 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.42 84.86 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.565 -0.709 . . . . 0.0 110.752 174.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.34 -43.91 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.717 0.807 . . . . 0.0 110.054 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -59.87 -49.83 76.15 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 119.347 0.976 . . . . 0.0 111.397 173.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.4 t -56.7 -43.13 80.25 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 117.964 0.347 . . . . 0.0 110.951 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.8 mt -57.43 -56.36 22.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.097 174.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 m -49.8 -46.31 50.83 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.547 1.067 . . . . 0.0 112.0 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 m -51.76 -56.41 14.01 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.816 1.189 . . . . 0.0 110.186 170.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -61.38 -36.8 81.26 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.555 1.07 . . . . 0.0 112.14 -170.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.27 -21.79 66.77 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.836 0.744 . . . . 0.0 110.8 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.2 t30 63.94 100.14 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 127.09 2.156 . . . . 0.0 107.344 -150.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 26.1 mtm -148.28 4.83 0.72 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.285 1.034 . . . . 0.0 112.839 172.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.6 mt . . . . . 0 CA--C 1.53 0.188 0 CA-C-N 119.746 1.157 . . . . 0.0 108.115 175.657 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 121.987 0.899 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -78.88 90.64 4.72 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.049 0.94 . . . . 0.0 109.638 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -42.24 -42.08 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 126.095 1.758 . . . . 0.0 113.43 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.97 -73.85 0.42 Allowed Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.45 0.548 . . . . 0.0 112.595 173.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -56.62 -37.37 70.61 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.956 1.302 . . . . 0.0 113.088 -176.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.05 -53.42 57.19 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.594 1.557 . . . . 0.0 109.788 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.462 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 8.7 ttm -65.73 -36.43 83.57 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.573 0.749 . . . . 0.0 110.82 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -53.29 59.39 Favored 'General case' 0 N--CA 1.432 -1.373 0 C-N-CA 123.703 0.801 . . . . 0.0 110.227 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -53.67 -39.84 65.44 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.068 0.547 . . . . 0.0 110.192 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.35 -67.77 0.32 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.442 0.697 . . . . 0.0 110.52 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HE2' ' SD ' ' A' ' 74' ' ' MET . 0.9 OUTLIER -57.6 -34.24 69.05 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.838 -0.539 . . . . 0.0 111.008 -175.314 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -52.44 -43.09 64.68 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.4 1.88 . . . . 0.0 112.166 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -84.54 2.18 42.41 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.821 0.737 . . . . 0.0 111.636 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.52 23.34 34.11 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-N 119.315 0.961 . . . . 0.0 112.294 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.67 146.42 30.85 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.616 1.708 . . . . 0.0 107.809 169.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.4 162.24 28.55 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 174.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.08 -58.99 4.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.387 1.475 . . . . 0.0 111.446 -173.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.3 m -61.8 -34.55 76.1 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.328 0.651 . . . . 0.0 109.66 175.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.7 ttt -54.15 -59.41 4.69 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 176.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.75 73.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 117.172 -1.394 . . . . 0.0 112.379 -175.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -58.87 -50.94 72.1 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.011 0.823 . . . . 0.0 110.224 170.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -52.75 -56.2 17.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 124.955 1.302 . . . . 0.0 111.427 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -53.7 -39.12 64.91 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 120.365 1.439 . . . . 0.0 112.842 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mt -73.19 -38.28 54.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-N 120.177 1.353 . . . . 0.0 111.468 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.29 -34.84 77.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 120.828 1.649 . . . . 0.0 110.375 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mt -72.69 -57.13 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.279 1.031 . . . . 0.0 109.249 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.9 t -58.39 -56.81 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 124.384 1.074 . . . . 0.0 110.075 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -56.08 -38.38 70.6 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.45 0.7 . . . . 0.0 109.163 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.27 17.6 9.74 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 127.582 2.515 . . . . 0.0 113.057 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.2 m -126.59 -34.74 2.41 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 116.555 -1.688 . . . . 0.0 110.2 166.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.63 -24.01 0.48 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 121.903 2.138 . . . . 0.0 115.657 -177.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 -25.28 1.93 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 120.124 -1.61 . . . . 0.0 112.91 176.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.8 m -60.04 -46.29 90.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.09 1.756 . . . . 0.0 111.781 170.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.9 m -73.81 122.37 87.42 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 125.479 1.512 . . . . 0.0 108.541 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -76.07 145.31 27.79 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.103 2.535 . . . . 0.0 110.858 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.99 -174.82 5.11 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.465 1.506 . . . . 0.0 110.093 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -179.54 3.98 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.25 1.02 . . . . 0.0 110.155 171.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -10.61 11.2 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 125.576 1.55 . . . . 0.0 112.791 171.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.46 92.03 0.8 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 166.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -54.48 -26.94 34.32 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 124.31 1.044 . . . . 0.0 111.53 173.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 63.7 m -54.67 -55.13 32.94 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 171.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.6 mt -63.83 -44.78 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 125.312 1.445 . . . . 0.0 109.534 -175.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -51.5 -60.27 3.33 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.696 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.5 m -69.67 -23.23 63.43 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.402 1.001 . . . . 0.0 112.369 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.1 tp -58.76 -50.64 73.2 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.663 -1.273 . . . . 0.0 108.622 164.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.83 -51.87 46.4 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.773 1.178 . . . . 0.0 111.298 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.27 -30.38 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 C-N-CA 124.456 1.102 . . . . 0.0 110.822 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.86 -36.25 56.9 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.614 -1.304 . . . . 0.0 112.203 171.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.8 m -71.54 -47.36 55.65 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.414 1.085 . . . . 0.0 110.579 -172.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 26.3 p -57.05 -48.58 78.19 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 175.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -57.81 -50.06 74.56 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.663 1.985 . . . . 0.0 110.329 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.08 -52.02 9.53 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.777 1.631 . . . . 0.0 110.392 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.37 -25.0 68.09 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.22 -34.54 49.25 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.187 0.995 . . . . 0.0 110.507 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 3.0 mm -64.5 -42.29 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -53.14 -55.81 21.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.655 0.782 . . . . 0.0 111.429 166.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -49.83 -51.63 38.46 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.668 1.576 . . . . 0.0 112.071 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.2 mt -69.33 -6.76 31.72 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.709 1.203 . . . . 0.0 112.393 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 51.3 t30 54.64 26.1 7.08 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.138 2.175 . . . . 0.0 111.847 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -79.81 31.72 0.25 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.057 1.343 . . . . 0.0 112.551 -178.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.832 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 175.915 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.271 2.2 mm-40 . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -49.85 -68.99 0.13 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.061 1.344 . . . . 0.0 111.637 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.07 -33.34 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.977 0.911 . . . . 0.0 111.063 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -50.33 74.38 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.76 0.824 . . . . 0.0 110.71 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -60.1 -45.94 91.26 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.7 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -57.76 -40.99 81.04 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.599 1.16 . . . . 0.0 111.921 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mt -66.67 -47.94 70.88 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.674 1.19 . . . . 0.0 109.877 174.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t -72.81 19.83 0.08 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.943 1.697 . . . . 0.0 111.764 173.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -129.07 -51.6 1.21 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 126.04 1.736 . . . . 0.0 108.599 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -60.93 -27.09 67.95 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.796 1.238 . . . . 0.0 112.344 174.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -53.8 -65.57 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.274 1.829 . . . . 0.0 108.334 170.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.45 36.2 2.43 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 120.987 -1.071 . . . . 0.0 113.28 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -66.35 -62.66 1.35 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.618 1.709 . . . . 0.0 109.428 169.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.79 22.36 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.638 1.575 . . . . 0.0 113.355 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.05 -50.26 72.68 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 120.871 -1.143 . . . . 0.0 110.448 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.45 -35.89 72.83 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.232 0.924 . . . . 0.0 112.535 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.66 -67.02 0.4 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 173.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 70.3 m -48.59 -43.04 35.67 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.457 0.703 . . . . 0.0 111.986 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -51.57 -54.73 24.47 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.626 1.57 . . . . 0.0 111.105 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -82.24 -19.84 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.064 0.393 . . . . 0.0 110.993 -175.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.43 -27.75 63.5 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.182 0.993 . . . . 0.0 112.971 173.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.5 mtp -118.24 -14.71 9.83 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.263 1.025 . . . . 0.0 112.218 -171.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.0 m 57.36 87.92 0.06 Allowed 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.574 1.55 . . . . 0.0 109.779 -156.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.7 mt -119.53 139.63 51.8 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 167.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.8 p -67.35 164.12 19.24 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 125.044 1.337 . . . . 0.0 111.422 -170.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -22.41 65.75 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.176 -0.952 . . . . 0.0 111.059 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.65 -22.74 64.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -176.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.3 pt -72.58 -26.16 23.67 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 CA-C-O 117.663 -1.16 . . . . 0.0 111.941 174.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -60.28 -47.55 85.51 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 120.261 1.391 . . . . 0.0 107.325 173.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.04 -44.05 91.72 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.543 1.137 . . . . 0.0 110.386 176.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.0 -57.78 11.19 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.699 0.399 . . . . 0.0 110.028 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.6 -45.19 81.55 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.399 1.48 . . . . 0.0 111.809 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -62.0 -48.84 78.51 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.887 1.275 . . . . 0.0 110.281 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -91.54 2.19 56.61 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 117.542 -1.218 . . . . 0.0 112.36 -173.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -50.27 -38.28 40.29 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 120.649 1.568 . . . . 0.0 112.683 -168.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.463 ' CH2' HG21 ' A' ' 122' ' ' ILE . 39.8 m95 -82.81 26.44 0.59 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.579 1.552 . . . . 0.0 114.477 176.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -72.18 168.17 18.78 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 126.13 1.772 . . . . 0.0 109.558 167.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -96.72 24.67 5.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -167.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.91 30.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.673 0 C-N-CA 124.795 1.188 . . . . 0.0 111.765 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -72.35 131.18 42.31 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.956 0.878 . . . . 0.0 108.921 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -101.28 138.06 38.81 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.773 0.829 . . . . 0.0 112.557 169.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -115.08 103.48 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 -164.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -137.27 4.48 2.68 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -63.84 93.46 0.08 Allowed 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 158.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.41 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 51.8 ttt-85 -46.23 -30.82 2.15 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.176 1.391 . . . . 0.0 113.355 174.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.7 -24.29 65.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.858 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.6 p -69.04 -41.92 77.03 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 119.765 1.166 . . . . 0.0 108.455 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.08 -47.07 75.56 Favored Glycine 0 C--N 1.335 0.522 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -30.64 63.83 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.894 -1.05 . . . . 0.0 113.449 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.52 -55.39 35.49 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 121.26 1.845 . . . . 0.0 108.799 167.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.2 mt -49.74 -42.21 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 125.466 1.507 . . . . 0.0 109.332 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 39.0 ttp -61.65 -55.99 24.63 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.216 1.006 . . . . 0.0 112.75 172.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.24 -58.18 7.95 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.126 0.971 . . . . 0.0 111.311 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -48.4 -49.15 36.01 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 125.847 1.659 . . . . 0.0 111.364 172.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.2 m -51.24 -50.42 59.21 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.081 1.31 . . . . 0.0 112.535 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -53.22 -50.15 65.3 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.774 1.17 . . . . 0.0 110.444 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -63.19 -18.22 63.25 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -173.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.08 2.24 55.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.388 1.904 . . . . 0.0 111.974 171.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.2 t30 66.08 36.25 5.82 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 128.171 2.589 . . . . 0.0 113.162 -168.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 47.9 mtm -95.65 8.89 42.12 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.981 -1.074 . . . . 0.0 112.281 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--O 1.238 0.468 0 CA-C-N 120.365 1.439 . . . . 0.0 108.702 176.199 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 tt . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.13 85.99 2.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.696 1.198 . . . . 0.0 108.868 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -50.75 -36.61 37.45 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 125.615 1.566 . . . . 0.0 111.975 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.1 -68.53 1.37 Allowed Glycine 0 CA--C 1.523 0.558 0 C-N-CA 124.401 1.0 . . . . 0.0 112.02 170.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -29.12 70.4 Favored 'General case' 0 CA--C 1.53 0.205 0 O-C-N 122.217 -0.578 . . . . 0.0 111.589 -176.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.13 97.61 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.537 1.135 . . . . 0.0 111.209 173.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.3 ttm -69.57 -38.53 77.43 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.441 -0.787 . . . . 0.0 111.389 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.92 -47.6 84.43 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -52.14 -45.52 65.03 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.982 1.313 . . . . 0.0 110.121 174.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.85 -58.52 7.63 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 124.233 1.013 . . . . 0.0 110.712 -177.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.9 mppp? -59.55 -43.91 93.41 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.332 0.653 . . . . 0.0 109.425 -177.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -46.1 -55.75 6.56 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.458 1.503 . . . . 0.0 111.105 173.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -75.62 -7.78 55.13 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 117.772 -1.108 . . . . 0.0 113.577 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.35 8.02 33.9 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 120.279 1.4 . . . . 0.0 114.691 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.42 159.36 21.49 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.369 1.585 . . . . 0.0 109.05 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.68 171.48 14.97 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.958 0.409 . . . . 0.0 110.624 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -53.18 59.15 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.469 1.107 . . . . 0.0 108.594 172.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.3 m -58.04 -50.68 72.59 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.86 1.264 . . . . 0.0 108.866 -175.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.6 ttp -59.89 -49.36 77.99 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.316 1.046 . . . . 0.0 110.626 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.8 -29.7 69.71 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 120.015 1.279 . . . . 0.0 112.833 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -60.63 -50.87 71.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.25 169.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -56.98 -44.35 82.61 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.752 1.221 . . . . 0.0 111.776 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.9 mt -63.62 -16.45 60.94 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.233 1.013 . . . . 0.0 112.684 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mp -99.6 -41.23 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.053 167.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.35 -44.47 80.13 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 120.87 1.668 . . . . 0.0 111.184 -176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 55.4 mt -70.04 -53.66 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.43 1.092 . . . . 0.0 108.889 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.23 -56.97 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 124.258 1.023 . . . . 0.0 110.151 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -51.81 -42.21 62.33 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.451 1.5 . . . . 0.0 108.321 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.79 -52.75 40.36 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 125.423 1.487 . . . . 0.0 112.406 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 11.6 m -68.86 -30.86 69.47 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 116.061 -1.924 . . . . 0.0 112.903 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -15.09 0.66 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 122.26 2.3 . . . . 0.0 115.883 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.43 -29.44 2.44 Favored 'General case' 0 N--CA 1.461 0.083 0 C-N-CA 125.675 1.59 . . . . 0.0 113.131 175.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.19 -53.11 49.65 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.704 0.802 . . . . 0.0 112.2 172.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.8 m -55.51 116.85 12.89 Favored Pre-proline 0 N--CA 1.451 -0.41 0 C-N-CA 125.248 1.419 . . . . 0.0 109.744 -171.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.39 129.1 11.7 Favored 'Trans proline' 0 N--CA 1.444 -1.402 0 C-N-CA 122.154 1.903 . . . . 0.0 108.477 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -139.32 170.22 16.33 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.718 1.207 . . . . 0.0 109.317 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -80.59 -175.0 4.99 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 163.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -5.53 6.24 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.573 -0.704 . . . . 0.0 112.225 166.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -70.05 95.32 0.95 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.358 1.063 . . . . 0.0 109.31 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.601 ' HE3' ' CE3' ' A' ' 110' ' ' TRP . 2.3 mmmt -53.01 -27.77 20.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.54 -1.219 . . . . 0.0 112.992 178.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 34.1 m -61.42 -50.47 72.68 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.783 1.174 . . . . 0.0 108.598 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.0 mm -60.42 -47.83 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 126.059 1.744 . . . . 0.0 109.164 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.601 ' CE3' ' HE3' ' A' ' 107' ' ' LYS . 27.0 t90 -50.7 -63.66 1.06 Allowed 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 124.493 1.117 . . . . 0.0 110.696 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.8 m -60.14 -31.33 69.98 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.03 0.932 . . . . 0.0 110.784 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -60.76 -53.83 52.57 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 125.092 1.357 . . . . 0.0 111.142 172.472 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.36 -44.02 95.39 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 40.4 t -57.38 -42.61 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 117.441 0.62 . . . . 0.0 110.767 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.3 71.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.878 -1.139 . . . . 0.0 111.989 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.3 m -73.1 -41.92 63.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.618 0.767 . . . . 0.0 110.904 -172.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.7 p -65.15 -45.77 83.63 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.243 0.929 . . . . 0.0 109.288 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -56.64 -52.36 65.17 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.999 1.719 . . . . 0.0 110.675 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -47.65 -54.42 12.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.44 1.018 . . . . 0.0 110.067 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.96 -35.11 72.62 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.91 -42.08 99.66 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 121.301 -0.874 . . . . 0.0 110.435 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.463 HG21 ' CH2' ' A' ' 37' ' ' TRP . 15.7 mm -56.6 -47.16 82.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 119.541 1.064 . . . . 0.0 109.824 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -56.81 -43.94 81.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.046 0.538 . . . . 0.0 110.888 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -40.34 94.9 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.075 1.35 . . . . 0.0 108.556 -178.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 38.3 mt -71.74 -3.57 22.74 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.875 -176.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 36.6 t30 54.95 22.97 4.67 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 128.516 2.726 . . . . 0.0 111.605 -167.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -73.24 9.89 1.14 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.625 1.57 . . . . 0.0 112.298 175.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 1 C-N-CA 133.822 4.849 . . . . 0.0 110.861 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -43.77 -64.85 0.58 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 129.704 3.201 . . . . 0.0 112.352 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.406 HG11 ' CD1' ' A' ' 8' ' ' LEU . 6.8 t -56.72 -45.71 82.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 C-N-CA 123.976 0.911 . . . . 0.0 108.566 175.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -39.57 74.65 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.02 -1.05 . . . . 0.0 110.191 -175.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -56.03 -55.06 37.37 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 118.893 0.77 . . . . 0.0 109.763 171.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -48.11 -49.07 33.31 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.292 1.837 . . . . 0.0 110.129 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.406 ' CD1' HG11 ' A' ' 4' ' ' VAL . 7.1 mp -54.01 -57.41 11.14 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.413 1.085 . . . . 0.0 109.518 177.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 p -64.41 -22.73 67.05 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.18 -62.82 1.22 Allowed 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -77.24 -20.44 55.22 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 114.295 -1.321 . . . . 0.0 111.02 -169.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -57.26 -62.25 1.9 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.358 1.063 . . . . 0.0 109.175 164.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.47 12.32 3.54 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 118.597 -1.113 . . . . 0.0 114.206 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -56.77 -52.13 66.22 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.503 2.151 . . . . 0.0 110.678 174.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.32 17.78 0.61 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.709 1.204 . . . . 0.0 112.417 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tp -56.7 -53.51 56.9 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 120.151 1.341 . . . . 0.0 109.996 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.56 -31.54 69.78 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 118.289 0.495 . . . . 0.0 111.804 -173.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -54.22 -60.83 2.81 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 168.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.2 m -59.38 -31.25 69.05 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.778 1.231 . . . . 0.0 113.12 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.15 -56.69 16.21 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 172.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -76.42 -26.39 55.47 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 118.965 0.802 . . . . 0.0 111.526 -171.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.26 -35.29 67.27 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 125.99 1.716 . . . . 0.0 112.506 175.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mtm -130.99 1.88 4.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.277 0.631 . . . . 0.0 111.89 -169.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.3 m 44.72 84.2 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.288 1.435 . . . . 0.0 110.75 -158.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 mt -108.18 136.44 47.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 164.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.3 p -60.93 161.47 8.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.051 0.844 . . . . 0.0 112.587 -171.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -23.43 67.22 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 122.929 0.492 . . . . 0.0 111.69 164.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.68 -16.26 60.56 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -173.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pt -72.26 -21.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.97 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -57.22 -43.37 82.78 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -59.96 -51.18 70.78 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.89 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -65.28 -16.61 63.75 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.752 1.16 . . . . 0.0 112.263 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -92.68 -48.59 6.51 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 125.912 1.685 . . . . 0.0 110.812 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.61 -50.48 71.87 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.37 2.268 . . . . 0.0 110.089 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -93.36 6.13 49.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.452 2.301 . . . . 0.0 111.884 -176.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -50.08 -34.14 20.78 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.621 1.1 . . . . 0.0 110.509 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.428 ' CH2' HG22 ' A' ' 122' ' ' ILE . 82.3 m95 -94.98 17.88 13.07 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.521 1.928 . . . . 0.0 114.822 -174.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.95 165.56 8.67 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.975 -1.078 . . . . 0.0 109.865 168.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -89.09 24.5 2.1 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 125.086 1.354 . . . . 0.0 114.344 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.99 17.39 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 C-N-CA 123.806 0.717 . . . . 0.0 112.614 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.46 129.78 38.71 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 118.33 1.065 . . . . 0.0 109.766 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -97.1 134.99 39.72 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.755 174.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.5 mt -113.87 110.19 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.01 4.24 4.11 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.661 0.784 . . . . 0.0 112.011 175.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -62.2 110.28 1.57 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.822 1.649 . . . . 0.0 109.197 173.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.0 ttm105 -61.08 -26.68 67.81 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 121.146 -0.971 . . . . 0.0 111.08 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.62 -31.39 70.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.714 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.2 p -71.13 -40.73 71.24 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 119.454 1.024 . . . . 0.0 108.54 -176.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -57.75 -45.7 93.11 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.77 -28.65 61.77 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 176.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.5 -49.97 71.46 Favored 'General case' 0 C--O 1.227 -0.097 0 CA-C-N 119.412 1.005 . . . . 0.0 109.816 171.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.31 -41.68 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 124.61 1.164 . . . . 0.0 109.358 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -61.99 -52.14 65.2 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.959 0.799 . . . . 0.0 110.727 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.0 t -56.4 -45.31 80.7 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.606 -1.309 . . . . 0.0 111.046 178.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.4 -45.34 93.55 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.298 -0.877 . . . . 0.0 111.088 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.7 m -49.95 -55.95 12.5 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.051 1.34 . . . . 0.0 110.584 172.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 m -50.23 -56.61 10.41 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.006 0.922 . . . . 0.0 110.355 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -62.23 -13.45 28.15 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.25 1.42 . . . . 0.0 112.177 -173.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.6 mt -102.8 9.08 39.21 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.057 1.343 . . . . 0.0 110.864 176.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 44.05 49.42 7.43 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 129.34 3.056 . . . . 0.0 112.32 -163.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -93.87 29.54 2.06 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 121.753 -0.592 . . . . 0.0 111.185 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 CA--C 1.513 -0.459 0 O-C-N 121.518 -0.739 . . . . 0.0 109.138 173.07 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -79.57 84.31 5.45 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.459 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -53.65 -33.43 55.18 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.574 1.55 . . . . 0.0 112.565 175.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.13 -58.33 15.13 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 123.261 0.458 . . . . 0.0 112.064 170.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -23.26 62.66 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.385 -1.068 . . . . 0.0 111.467 -176.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.92 -54.5 15.13 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.464 1.505 . . . . 0.0 110.529 173.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.8 ttm -59.68 -35.52 74.63 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.681 0.673 . . . . 0.0 110.997 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -58.99 -43.58 91.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.14 174.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -54.6 -47.95 72.74 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.86 10.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.4 0.68 . . . . 0.0 111.325 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -22.35 64.93 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.139 0.881 . . . . 0.0 111.517 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -66.29 -50.22 64.43 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 125.215 1.406 . . . . 0.0 110.186 167.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -76.4 -9.05 58.35 Favored 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -164.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.03 7.05 27.51 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 119.625 1.102 . . . . 0.0 112.888 -173.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.97 166.09 17.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 119.329 1.564 . . . . 0.0 110.892 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.592 ' H ' ' HE1' ' A' ' 86' ' ' MET . 7.1 m-20 -96.41 167.47 11.15 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.174 1.789 . . . . 0.0 108.808 -170.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -50.9 66.98 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.298 1.039 . . . . 0.0 111.383 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -62.68 -48.02 81.11 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 123.557 0.743 . . . . 0.0 109.369 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.592 ' HE1' ' H ' ' A' ' 83' ' ' ASP . 1.2 ttp -55.79 -46.24 78.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.578 0.751 . . . . 0.0 109.824 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.64 84.64 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.451 -0.785 . . . . 0.0 112.029 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -69.02 -38.38 79.17 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.522 -1.228 . . . . 0.0 110.727 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -56.79 -49.11 76.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 120.469 1.486 . . . . 0.0 111.343 174.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.05 -17.47 57.49 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.667 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.1 mt -96.73 -40.57 10.57 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 119.98 1.264 . . . . 0.0 111.511 170.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.6 -43.56 84.78 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 119.607 1.094 . . . . 0.0 110.21 -174.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.2 mt -76.1 -40.87 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.149 0.98 . . . . 0.0 109.426 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.19 -55.7 15.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 124.218 1.007 . . . . 0.0 110.406 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -55.44 -40.69 71.84 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.128 1.371 . . . . 0.0 108.428 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.72 15.05 2.34 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 127.366 2.412 . . . . 0.0 114.639 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.8 m -127.78 -29.02 2.64 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 125.739 1.616 . . . . 0.0 110.335 169.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -50.71 -26.03 5.03 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 122.226 2.285 . . . . 0.0 115.567 -175.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -33.46 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.743 1.217 . . . . 0.0 110.7 177.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.7 m -56.86 -46.96 81.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 127.331 2.252 . . . . 0.0 112.848 173.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.2 m -65.78 118.86 55.77 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 174.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.95 135.04 22.57 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.667 2.245 . . . . 0.0 107.8 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.35 -174.89 4.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.777 0.799 . . . . 0.0 111.18 -175.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -128.1 -179.17 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 127.118 2.167 . . . . 0.0 107.65 167.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.61 -10.37 26.0 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.526 1.13 . . . . 0.0 112.923 -174.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.464 ' HB3' ' H ' ' A' ' 109' ' ' ILE . 3.0 m-20 -65.82 96.01 0.27 Allowed 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 165.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.5 mmpp? -51.75 -26.96 10.58 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.066 163.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 17.1 m -59.92 -57.42 12.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.144 0.884 . . . . 0.0 108.966 170.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.464 ' H ' ' HB3' ' A' ' 106' ' ' ASP . 7.2 mm -62.65 -46.06 97.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 125.602 1.561 . . . . 0.0 109.512 -172.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -49.32 -64.13 0.9 Allowed 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 125.217 1.407 . . . . 0.0 109.514 173.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.3 m -60.59 -39.33 87.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.53 0.732 . . . . 0.0 110.795 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.1 tp -55.97 -46.91 78.48 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 124.343 1.057 . . . . 0.0 109.236 173.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.55 93.33 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.865 0.745 . . . . 0.0 111.362 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.06 -19.84 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 124.512 1.125 . . . . 0.0 110.871 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.64 -37.75 14.4 Favored 'General case' 0 C--O 1.225 -0.22 0 O-C-N 120.763 -1.21 . . . . 0.0 111.831 169.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 34.6 m -73.22 -35.08 66.23 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.915 1.234 . . . . 0.0 111.272 -173.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 22.7 p -58.23 -56.24 24.64 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.544 1.066 . . . . 0.0 108.27 170.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -61.08 -46.97 88.45 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 128.855 2.862 . . . . 0.0 111.893 -171.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -41.68 -57.63 2.24 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 125.716 1.606 . . . . 0.0 108.654 172.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.12 -11.0 60.58 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.463 -170.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -85.23 -33.03 22.31 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 120.48 1.491 . . . . 0.0 112.377 168.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.428 HG22 ' CH2' ' A' ' 37' ' ' TRP . 11.8 mm -55.12 -43.33 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 167.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -59.0 -45.41 90.72 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.129 0.972 . . . . 0.0 112.915 175.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -48.32 77.63 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 121.997 2.181 . . . . 0.0 111.483 173.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.26 -22.57 63.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.431 1.092 . . . . 0.0 110.599 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 52.5 t30 66.85 49.72 1.17 Allowed 'General case' 0 C--O 1.237 0.414 0 C-N-CA 129.086 2.955 . . . . 0.0 110.485 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 52.3 m0 -105.11 18.31 22.56 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.217 1.407 . . . . 0.0 114.235 -173.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 CA-C-N 121.082 1.765 . . . . 0.0 111.523 176.198 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 . . . . . 0 C--O 1.225 -0.23 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -47.55 -64.17 0.86 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.278 1.031 . . . . 0.0 109.904 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.1 p -84.02 -35.68 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 123.391 0.676 . . . . 0.0 112.396 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -41.63 76.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.956 -0.465 . . . . 0.0 111.024 -176.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -40.07 86.77 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 120.555 -1.341 . . . . 0.0 109.897 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -56.3 -49.55 73.97 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 127.016 2.126 . . . . 0.0 111.186 169.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.9 mt -59.71 -54.02 51.2 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.098 -1.001 . . . . 0.0 108.644 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.2 m -59.31 -14.45 11.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.904 1.282 . . . . 0.0 113.428 174.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.3 -66.55 0.9 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.43 -4.27 47.49 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -169.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -43.26 -54.6 4.47 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.146 0.978 . . . . 0.0 109.815 153.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.1 43.28 2.94 Favored Glycine 0 C--N 1.336 0.534 0 O-C-N 121.066 -1.021 . . . . 0.0 113.524 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -53.91 18.06 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.965 1.882 . . . . 0.0 109.295 171.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.12 25.69 0.16 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.87 1.268 . . . . 0.0 113.396 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 tp -62.95 -56.09 20.2 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.577 1.151 . . . . 0.0 111.58 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -29.55 70.23 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.56 -52.07 35.85 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.4 m -55.43 -38.61 69.22 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.087 0.955 . . . . 0.0 111.454 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -58.79 -63.27 1.35 Allowed 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.85 1.26 . . . . 0.0 109.019 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.49 -28.13 69.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 119.483 1.038 . . . . 0.0 112.581 -177.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -60.32 -58.43 8.55 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.484 1.114 . . . . 0.0 111.618 175.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.0 mtm -101.82 -0.3 34.44 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.003 0.521 . . . . 0.0 112.224 -169.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.7 m 58.97 81.8 0.16 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.411 2.285 . . . . 0.0 110.592 -171.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -115.39 129.19 56.5 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.8 p -69.42 166.53 18.51 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.221 1.008 . . . . 0.0 110.929 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -11.11 60.44 Favored 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 121.193 -0.942 . . . . 0.0 112.63 174.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.3 -28.74 68.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.199 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.4 pt -68.67 -29.8 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 124.631 1.172 . . . . 0.0 110.345 176.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.39 -17.77 64.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.19 -0.944 . . . . 0.0 110.295 173.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.5 -55.1 8.51 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 120.39 1.45 . . . . 0.0 107.325 166.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -75.29 -27.95 59.55 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 119.241 0.928 . . . . 0.0 112.126 -164.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -65.99 -45.98 79.68 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.233 0.924 . . . . 0.0 111.066 165.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -60.79 -49.33 77.92 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 119.697 1.135 . . . . 0.0 109.411 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.99 -4.74 48.54 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 126.251 1.821 . . . . 0.0 111.576 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -52.07 -44.69 64.46 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 121.501 1.955 . . . . 0.0 112.091 -165.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.3 m95 -82.86 38.51 0.58 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.363 1.065 . . . . 0.0 112.622 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 170.49 10.16 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.976 1.71 . . . . 0.0 111.633 175.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.35 61.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.696 1.998 . . . . 0.0 112.382 -167.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.84 58.43 1.04 Allowed Glycine 0 N--CA 1.454 -0.116 0 N-CA-C 108.197 -1.961 . . . . 0.0 108.197 -174.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -90.09 166.97 13.1 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.233 1.413 . . . . 0.0 108.807 162.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -133.84 148.78 51.34 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.317 1.447 . . . . 0.0 112.603 168.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.7 mt -123.5 121.68 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 127.982 2.513 . . . . 0.0 105.84 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -136.83 -17.76 1.41 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -56.02 110.71 0.79 Allowed 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -22.33 38.21 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 119.624 1.102 . . . . 0.0 110.591 171.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -52.22 -37.29 54.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.24 2.216 . . . . 0.0 111.478 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.05 -36.27 30.72 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.41 -56.19 16.28 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 126.985 2.231 . . . . 0.0 109.248 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.62 -31.49 72.73 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.508 -0.995 . . . . 0.0 113.329 174.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.5 76.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.941 1.246 . . . . 0.0 110.323 172.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.9 mt -60.85 -41.34 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 125.275 1.43 . . . . 0.0 109.087 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 34.5 ttp -59.56 -46.44 88.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.101 0.56 . . . . 0.0 110.761 172.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.82 -48.08 83.13 Favored 'General case' 0 C--N 1.342 0.246 0 O-C-N 121.546 -0.721 . . . . 0.0 111.645 177.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.86 -39.81 95.55 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.406 -0.809 . . . . 0.0 110.022 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 m -56.51 -53.61 55.47 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.804 172.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -48.13 -49.18 33.13 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.38 0.991 . . . . 0.0 111.668 170.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -67.7 -20.1 65.24 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 121.283 -0.886 . . . . 0.0 112.283 -172.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.7 mt -98.77 14.45 28.73 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.181 1.392 . . . . 0.0 110.02 176.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 50.78 36.89 15.49 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 128.672 2.789 . . . . 0.0 111.526 -174.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.9 mtt -85.92 9.7 16.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 117.877 -1.059 . . . . 0.0 111.837 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.3 mt . . . . . 0 C--O 1.234 0.286 0 CA-C-N 120.322 1.419 . . . . 0.0 108.39 175.03 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.536 0.404 0 CA-C-O 120.694 0.283 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -74.42 87.3 2.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.395 1.478 . . . . 0.0 107.842 173.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -51.58 -36.87 47.26 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.381 1.073 . . . . 0.0 111.779 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.49 -75.4 0.23 Allowed Glycine 0 CA--C 1.527 0.807 0 C-N-CA 125.641 1.591 . . . . 0.0 113.477 170.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -66.69 -25.75 66.7 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.314 1.557 . . . . 0.0 112.459 -171.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.57 87.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.557 0.743 . . . . 0.0 111.192 168.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.7 ttm -77.77 -29.82 51.14 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.888 -1.133 . . . . 0.0 112.013 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -55.57 -55.38 32.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.491 1.116 . . . . 0.0 108.477 168.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -50.39 -51.72 43.64 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 124.289 0.993 . . . . 0.0 108.963 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.41 -62.08 1.91 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.004 0.82 . . . . 0.0 113.086 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -39.86 85.14 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.216 -0.928 . . . . 0.0 112.085 -173.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -50.61 -33.64 22.94 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 126.66 1.984 . . . . 0.0 112.902 177.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -90.45 -9.72 46.42 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.836 0.854 . . . . 0.0 112.322 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.84 16.15 12.03 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.496 1.046 . . . . 0.0 113.604 -175.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.97 147.74 52.85 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 119.576 1.688 . . . . 0.0 110.796 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -67.52 159.68 29.21 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.306 167.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -45.04 94.08 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 172.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -31.4 70.33 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.972 0.909 . . . . 0.0 110.941 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.3 ttp -74.33 -51.53 14.9 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 120.737 -1.227 . . . . 0.0 108.347 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -36.92 76.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 122.914 0.485 . . . . 0.0 111.428 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -65.6 -44.66 85.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 117.292 -1.337 . . . . 0.0 109.654 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -57.56 -48.14 80.13 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 120.543 1.519 . . . . 0.0 111.357 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.37 -34.38 72.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 124.372 1.069 . . . . 0.0 111.097 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -39.82 16.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-O 117.299 -1.334 . . . . 0.0 111.567 172.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.92 -37.31 81.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 120.922 1.692 . . . . 0.0 110.971 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 67.9 mt -78.31 -45.36 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 124.189 0.996 . . . . 0.0 109.448 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.04 -46.84 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.97 0.805 . . . . 0.0 110.616 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.568 ' CD2' ' HE2' ' A' ' 99' ' ' LYS . 17.9 t-160 -58.07 -50.09 74.67 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 178.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.12 15.95 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 C-N-CA 128.148 2.785 . . . . 0.0 115.009 174.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 10.3 m -133.0 -29.4 1.45 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 116.192 -1.861 . . . . 0.0 111.599 165.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -54.98 -22.07 13.97 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 123.435 2.834 . . . . 0.0 112.867 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.568 ' HE2' ' CD2' ' A' ' 95' ' ' HIS . 0.4 OUTLIER -121.89 -25.54 4.98 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 119.807 -1.808 . . . . 0.0 113.417 177.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 m -80.54 -33.11 36.52 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.45 1.5 . . . . 0.0 112.943 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.7 m -75.91 114.4 36.67 Favored Pre-proline 0 N--CA 1.45 -0.465 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 170.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -71.33 147.72 53.59 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.533 2.155 . . . . 0.0 109.449 171.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -155.97 174.1 15.83 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.937 -0.477 . . . . 0.0 110.269 168.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.461 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -65.28 177.42 1.09 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.946 0.898 . . . . 0.0 109.374 162.786 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -0.57 1.49 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.152 0.981 . . . . 0.0 112.182 162.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.461 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 6.8 t70 -74.97 94.42 2.84 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 120.376 -1.453 . . . . 0.0 109.572 175.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.572 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 13.5 mmmm -67.21 -24.49 65.85 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.21 -0.932 . . . . 0.0 111.673 -171.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 65.0 m -58.89 -54.34 48.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 169.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.4 mm -59.26 -44.13 91.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 123.893 0.877 . . . . 0.0 110.308 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.572 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 30.1 t90 -57.07 -63.52 1.18 Allowed 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 125.623 1.569 . . . . 0.0 111.556 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -60.5 -33.95 73.35 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 118.648 0.658 . . . . 0.0 110.434 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.22 -55.17 9.08 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.41 1.084 . . . . 0.0 108.988 168.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.53 -38.23 94.58 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.671 1.129 . . . . 0.0 113.158 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.37 -34.94 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 118.349 1.075 . . . . 0.0 110.38 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.17 67.55 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 120.891 -1.13 . . . . 0.0 110.981 170.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 m -60.82 -40.54 93.12 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 120.143 1.338 . . . . 0.0 112.126 -171.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.0 p -66.53 -59.8 3.3 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.399 0.679 . . . . 0.0 109.956 171.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.411 ' CE1' HD12 ' A' ' 122' ' ' ILE . 63.1 t80 -49.23 -50.3 39.17 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 124.941 1.296 . . . . 0.0 111.063 -174.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.04 -55.9 3.02 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 126.073 1.749 . . . . 0.0 110.703 172.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.02 -32.97 72.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 122.203 0.201 . . . . 0.0 111.115 -172.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -70.78 -38.55 73.39 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.245 1.418 . . . . 0.0 109.503 177.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.411 HD12 ' CE1' ' A' ' 118' ' ' PHE . 7.0 mm -62.91 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 CA-C-N 119.489 1.04 . . . . 0.0 109.678 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -57.66 -45.52 85.44 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 119.205 -0.426 . . . . 0.0 110.22 176.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -59.2 -44.22 92.25 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.777 0.717 . . . . 0.0 111.576 175.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.0 mt -65.18 -8.03 15.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.767 1.227 . . . . 0.0 112.874 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 56.27 22.51 6.28 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.403 1.881 . . . . 0.0 112.025 -170.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 46.8 m0 -82.65 46.35 1.06 Allowed 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.682 -1.261 . . . . 0.0 109.301 177.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 116.9 -1.524 . . . . 0.0 107.815 177.025 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.407 HE21 ' C ' ' A' ' 128' ' ' ALA 0.351 1.1 tt0 . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -52.72 -47.21 67.5 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.774 2.03 . . . . 0.0 110.387 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.6 t -69.45 -34.23 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.562 1.145 . . . . 0.0 110.584 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -48.48 81.56 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.877 1.217 . . . . 0.0 109.065 176.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -58.08 -51.27 70.38 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 123.688 0.795 . . . . 0.0 109.598 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.71 -40.84 84.87 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.37 -50.78 72.23 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.207 -0.933 . . . . 0.0 109.23 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -58.37 -28.24 64.97 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.665 1.186 . . . . 0.0 111.295 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -80.57 -47.0 14.82 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.668 1.987 . . . . 0.0 109.759 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -82.55 -27.02 31.88 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.506 0.722 . . . . 0.0 111.937 -177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -54.7 -54.87 36.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 157.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.22 47.27 3.79 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.3 -0.722 . . . . 0.0 113.961 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -100.97 -41.4 6.82 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 117.11 -1.424 . . . . 0.0 113.247 174.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.458 ' CB ' ' HE3' ' A' ' 58' ' ' LYS . . . -76.97 27.48 0.14 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 121.025 1.738 . . . . 0.0 113.111 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.72 -56.39 22.45 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.856 -1.152 . . . . 0.0 111.108 -172.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -62.89 -36.33 82.99 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.238 1.015 . . . . 0.0 110.157 -173.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -56.42 -58.77 6.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 170.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.1 m -59.83 -29.42 68.25 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -66.11 -56.81 9.62 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 124.312 1.045 . . . . 0.0 109.374 173.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -66.14 -33.3 75.47 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.617 0.644 . . . . 0.0 110.847 -176.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -57.11 -31.85 65.73 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.879 1.272 . . . . 0.0 113.56 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mtm -127.2 -0.09 6.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -168.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 m 49.99 81.63 0.06 Allowed 'General case' 0 C--O 1.236 0.393 0 C-N-CA 124.501 1.12 . . . . 0.0 109.666 -159.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -112.44 136.65 51.68 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 170.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.7 p -66.82 154.65 40.35 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.584 0.553 . . . . 0.0 111.012 -174.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.3 -20.61 63.01 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 123.226 0.61 . . . . 0.0 110.627 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.04 -10.89 6.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.175 1.79 . . . . 0.0 114.255 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.3 pt -74.45 -16.91 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 119.203 0.911 . . . . 0.0 111.831 169.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -59.09 -51.94 67.89 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -52.8 -41.71 64.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.699 0.681 . . . . 0.0 111.298 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -68.16 -49.01 63.77 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.319 0.508 . . . . 0.0 110.795 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.45 -40.23 95.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 118.819 0.736 . . . . 0.0 111.713 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -60.58 -52.08 66.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 126.026 1.73 . . . . 0.0 109.058 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -89.56 8.24 32.24 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.288 0.635 . . . . 0.0 112.214 -174.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -50.76 -42.19 57.47 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.778 1.631 . . . . 0.0 110.929 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -85.22 17.69 2.93 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -65.47 166.97 9.43 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 120.504 1.502 . . . . 0.0 111.238 174.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -94.35 24.41 4.49 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 126.15 1.78 . . . . 0.0 113.731 -167.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 164.77 31.06 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 C-N-CA 124.519 1.057 . . . . 0.0 111.695 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -82.61 146.66 29.01 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.334 0.654 . . . . 0.0 109.41 -176.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -122.08 133.92 54.77 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 122.419 1.104 . . . . 0.0 110.321 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.7 mt -101.35 122.89 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 104.145 -2.539 . . . . 0.0 104.145 -175.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -142.02 -20.52 0.72 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.403 -173.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 110.53 2.4 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 174.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.402 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 7.0 ttp85 -53.26 -29.12 31.21 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.806 0.73 . . . . 0.0 110.239 174.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.15 -29.05 63.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.121 1.368 . . . . 0.0 112.621 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.6 p -69.78 -47.25 63.58 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 119.558 1.072 . . . . 0.0 108.708 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.76 -43.29 86.82 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 124.674 1.13 . . . . 0.0 112.095 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -32.35 61.34 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 118.333 -0.842 . . . . 0.0 112.584 177.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.79 80.31 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.966 1.257 . . . . 0.0 109.643 170.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.9 mt -51.96 -56.19 7.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 C-N-CA 124.604 1.162 . . . . 0.0 108.067 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -55.76 -45.79 78.0 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.31 0.959 . . . . 0.0 111.96 -177.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.67 -47.4 82.41 Favored 'General case' 0 C--O 1.225 -0.201 0 O-C-N 122.026 -0.421 . . . . 0.0 110.618 174.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.68 -44.81 95.3 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.12 -0.987 . . . . 0.0 109.857 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 m -53.22 -49.17 67.34 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.662 1.119 . . . . 0.0 110.262 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -52.3 -55.74 19.41 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.902 -1.124 . . . . 0.0 110.723 171.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' HE3' ' CB ' ' A' ' 15' ' ' ALA . 3.9 mmmt -62.21 -27.38 68.94 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.312 -0.867 . . . . 0.0 111.189 -172.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.6 mt -84.73 10.83 10.33 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.082 1.353 . . . . 0.0 110.963 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 t30 41.78 46.78 3.42 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 128.454 2.702 . . . . 0.0 110.372 -171.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.97 -1.64 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.778 -169.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 N--CA 1.445 -0.705 0 C-N-CA 123.549 0.74 . . . . 0.0 109.757 -172.594 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.494 HD11 ' H ' ' A' ' 70' ' ' HIS . 2.1 tm? . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 118.796 -0.621 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -73.34 -14.92 61.38 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -176.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.494 ' H ' HD11 ' A' ' 68' ' ' LEU . 26.9 m80 67.28 -55.88 0.45 Allowed 'General case' 0 C--O 1.232 0.153 0 C-N-CA 128.984 2.913 . . . . 0.0 112.219 -166.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.4 -72.45 0.57 Allowed Glycine 0 CA--C 1.526 0.778 0 C-N-CA 125.056 1.313 . . . . 0.0 113.057 -174.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -57.86 -40.14 79.43 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.623 -174.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.9 -59.93 2.05 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.916 1.286 . . . . 0.0 110.134 169.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.1 ttm -65.12 -43.98 90.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -60.13 -47.04 87.56 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -58.15 -44.22 87.77 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 124.351 1.061 . . . . 0.0 110.797 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.34 -61.89 2.24 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 123.173 0.589 . . . . 0.0 109.607 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -57.55 -34.46 69.19 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.583 -0.698 . . . . 0.0 111.896 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -54.78 -38.55 67.39 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.805 1.242 . . . . 0.0 112.527 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -78.63 6.86 7.84 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.138 0.575 . . . . 0.0 112.015 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.37 5.33 85.2 Favored Glycine 0 CA--C 1.526 0.741 0 CA-C-O 119.023 -0.876 . . . . 0.0 112.229 -174.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.54 148.49 48.63 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 118.456 1.128 . . . . 0.0 110.256 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.61 153.13 36.88 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.276 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -53.2 57.03 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.39 2.276 . . . . 0.0 109.197 175.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 83.8 m -65.06 -47.55 76.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.664 1.586 . . . . 0.0 110.875 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.5 ttm -52.43 -51.91 56.74 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.46 -38.53 87.56 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.559 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -58.19 -53.4 58.72 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.97 0.804 . . . . 0.0 109.262 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -59.25 -41.0 87.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.57 1.148 . . . . 0.0 111.922 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.8 mt -64.62 -14.62 58.81 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 117.959 -1.02 . . . . 0.0 111.586 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.25 -51.25 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-O 116.629 -1.653 . . . . 0.0 110.698 163.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.1 -28.91 69.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 121.114 1.779 . . . . 0.0 112.149 -165.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 53.5 mt -70.61 -48.81 56.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.55 -58.28 8.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 125.183 1.393 . . . . 0.0 110.413 -173.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -56.62 -38.34 71.96 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 123.866 0.867 . . . . 0.0 109.052 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.23 7.6 2.46 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.893 2.187 . . . . 0.0 114.429 174.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 59.7 m -124.12 -35.57 2.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 126.601 1.961 . . . . 0.0 110.498 169.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.67 -25.59 0.5 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 122.062 2.21 . . . . 0.0 115.136 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.24 -36.75 3.31 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 125.383 1.473 . . . . 0.0 112.023 172.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -40.31 95.47 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.636 0.774 . . . . 0.0 112.043 -175.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.8 m -63.34 120.05 58.63 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 124.718 1.207 . . . . 0.0 109.572 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.18 129.3 11.2 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.013 2.475 . . . . 0.0 109.395 175.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -136.26 174.14 10.94 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.288 0.635 . . . . 0.0 111.0 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.11 176.96 8.44 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 156.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.74 -6.0 4.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.962 0.905 . . . . 0.0 112.5 169.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -67.15 96.04 0.44 Allowed 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 120.707 -1.245 . . . . 0.0 108.504 176.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.667 ' HE3' ' CE3' ' A' ' 110' ' ' TRP . 8.2 mmmt -57.86 -24.46 57.61 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.087 -1.008 . . . . 0.0 113.092 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.2 m -61.75 -52.96 62.1 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 170.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.4 -42.88 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.137 1.775 . . . . 0.0 109.109 -173.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.667 ' CE3' ' HE3' ' A' ' 107' ' ' LYS . 29.3 t90 -47.61 -63.63 1.0 Allowed 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 125.309 1.444 . . . . 0.0 109.527 171.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.7 m -60.58 -38.52 84.88 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.088 0.555 . . . . 0.0 111.382 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -50.84 -49.87 57.97 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.664 1.586 . . . . 0.0 110.145 172.155 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.59 -42.72 87.71 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 124.76 1.171 . . . . 0.0 112.085 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.32 -24.53 33.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 117.721 0.761 . . . . 0.0 110.753 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -83.04 -41.72 18.33 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 120.898 -1.126 . . . . 0.0 111.907 168.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.0 m -61.02 -43.57 98.69 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.122 1.328 . . . . 0.0 110.719 -172.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 17.8 p -61.66 -51.71 67.33 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.486 0.66 . . . . 0.0 109.931 178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.76 -48.14 83.15 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.309 2.244 . . . . 0.0 110.057 -175.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -47.53 -54.18 12.37 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.166 0.986 . . . . 0.0 109.74 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.67 73.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.496 ' HA ' ' HE3' ' A' ' 124' ' ' LYS . 8.9 mm-40 -63.8 -43.11 97.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.211 0.914 . . . . 0.0 111.075 171.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.2 mm -57.66 -47.16 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.19 0.905 . . . . 0.0 108.853 175.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -56.02 -50.05 71.97 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.056 0.543 . . . . 0.0 111.412 173.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -59.71 -41.26 90.39 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 119.957 -1.714 . . . . 0.0 112.555 178.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.79 -7.52 16.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.901 1.681 . . . . 0.0 112.337 172.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 51.9 t30 59.58 26.23 15.23 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.549 1.94 . . . . 0.0 112.041 -173.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -91.01 -8.04 50.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.561 1.945 . . . . 0.0 112.907 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' C ' HE21 ' A' ' 2' ' ' GLN . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-N 119.593 1.088 . . . . 0.0 108.279 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 119.128 -0.463 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -88.45 -33.81 17.71 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.637 1.175 . . . . 0.0 112.367 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -50.95 -59.58 4.0 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 126.543 1.937 . . . . 0.0 111.138 -173.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.2 p -62.04 -45.05 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 124.381 1.072 . . . . 0.0 110.731 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -36.89 46.66 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -61.89 -50.2 73.17 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -54.8 -39.66 68.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 124.351 1.06 . . . . 0.0 112.497 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.49 -55.49 32.83 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -60.78 -32.54 71.87 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.612 0.765 . . . . 0.0 110.98 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.56 -54.93 15.76 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.919 1.688 . . . . 0.0 108.139 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -77.51 -23.92 50.15 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.592 -172.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -57.79 -56.89 16.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.118 1.367 . . . . 0.0 108.831 165.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.29 36.93 1.54 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.897 0.76 . . . . 0.0 114.013 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -80.07 -65.75 0.97 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.217 1.508 . . . . 0.0 109.422 170.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.77 14.54 0.1 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -172.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.3 tp -61.07 -46.11 91.98 Favored 'General case' 0 C--O 1.224 -0.258 0 O-C-N 120.768 -1.207 . . . . 0.0 110.605 -174.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -69.12 -30.0 68.18 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.27 -59.11 5.92 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 168.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.5 m -52.43 -38.22 58.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.974 0.91 . . . . 0.0 112.42 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -57.71 -56.02 27.36 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.531 1.133 . . . . 0.0 110.432 176.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.256 0.1 OUTLIER -63.09 -40.53 97.92 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 125.67 1.588 . . . . 0.0 109.058 -178.853 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -59.58 -51.51 69.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.016 1.326 . . . . 0.0 110.734 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.3 mtp -108.1 2.3 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.26 0.624 . . . . 0.0 111.512 -161.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.6 m 51.71 77.17 0.15 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 126.681 1.992 . . . . 0.0 109.355 -167.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.5 mt -112.47 136.39 52.03 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -73.69 169.54 17.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 122.666 1.222 . . . . 0.0 109.853 -173.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.77 -17.21 64.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.545 174.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -10.47 45.49 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.3 pt -80.59 -24.39 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 117.753 -1.118 . . . . 0.0 110.139 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -56.44 -40.81 75.39 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 119.486 1.039 . . . . 0.0 108.677 170.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.76 -56.63 19.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 115.916 -1.992 . . . . 0.0 109.287 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.99 -56.52 8.67 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.655 1.116 . . . . 0.0 107.991 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -60.95 -26.55 67.59 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -81.23 -43.73 18.81 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.697 1.599 . . . . 0.0 111.491 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -95.53 2.88 54.51 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.211 1.405 . . . . 0.0 112.941 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -48.16 -41.58 27.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.749 2.019 . . . . 0.0 110.503 -176.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -89.99 47.17 1.42 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.116 1.766 . . . . 0.0 112.569 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.64 166.78 11.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.63 1.172 . . . . 0.0 110.567 168.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -94.92 23.74 5.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.718 1.207 . . . . 0.0 113.98 -171.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.39 40.48 0.02 OUTLIER Glycine 0 CA--C 1.509 -0.293 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -91.31 141.79 28.4 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 167.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -126.48 137.45 53.39 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.3 mt -100.86 104.23 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 C-N-CA 129.98 3.312 . . . . 0.0 105.406 -161.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -124.35 -6.14 7.67 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.758 -173.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -74.85 108.08 7.36 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 120.453 1.479 . . . . 0.0 107.967 170.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -52.76 -27.87 19.73 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.936 1.244 . . . . 0.0 111.036 175.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -65.96 -26.1 67.42 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 117.726 -1.13 . . . . 0.0 111.22 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . 0.259 11.2 p -69.76 -41.15 75.57 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.253 1.388 . . . . 0.0 108.617 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.51 -56.44 7.25 Favored Glycine 0 C--N 1.341 0.856 0 C-N-CA 126.83 2.157 . . . . 0.0 112.226 169.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -34.98 75.48 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.419 -0.8 . . . . 0.0 113.07 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.02 79.43 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 119.705 1.139 . . . . 0.0 109.88 175.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.5 mt -52.56 -53.36 20.52 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.946 1.298 . . . . 0.0 108.336 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.7 ttp -58.54 -40.71 83.72 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.106 0.866 . . . . 0.0 112.304 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.4 t -63.16 -46.19 88.33 Favored 'General case' 0 C--N 1.338 0.097 0 O-C-N 121.606 -0.684 . . . . 0.0 110.609 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.5 mt -58.25 -50.17 74.54 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-O 118.65 -0.69 . . . . 0.0 109.15 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.6 m -50.35 -49.69 53.34 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.684 1.193 . . . . 0.0 112.043 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 m -52.94 -53.03 55.51 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.032 0.833 . . . . 0.0 111.028 169.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -65.2 -29.66 70.5 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.414 -0.803 . . . . 0.0 111.253 -171.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 mt -88.66 5.46 43.03 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.843 1.657 . . . . 0.0 110.824 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.85 38.01 1.7 Allowed 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.907 2.483 . . . . 0.0 112.815 168.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.7 mtt -93.01 17.81 10.17 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.094 -1.004 . . . . 0.0 112.053 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.2 mt -119.66 120.06 35.53 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 120.624 1.556 . . . . 0.0 109.704 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -67.26 174.22 2.21 Favored Pre-proline 0 C--O 1.241 0.653 0 C-N-CA 126.072 1.749 . . . . 0.0 108.523 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -64.04 -10.35 22.78 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 121.513 1.475 . . . . 0.0 112.64 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -96.16 -25.68 15.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.454 1.102 . . . . 0.0 109.516 -168.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.89 28.32 54.76 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 125.954 1.74 . . . . 0.0 111.757 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -117.84 31.23 6.82 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.887 2.075 . . . . 0.0 109.447 -177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 63.75 123.34 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 129.098 2.959 . . . . 0.0 113.25 -178.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.56 76.99 1.47 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 170.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -55.88 -33.65 64.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.091 0.956 . . . . 0.0 110.651 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -47.76 -61.36 4.81 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.133 1.349 . . . . 0.0 112.555 166.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -74.84 -31.26 61.61 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.658 -0.907 . . . . 0.0 112.491 -175.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.25 -41.3 65.31 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.022 1.329 . . . . 0.0 111.05 168.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.6 ttm -69.27 -39.94 78.08 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 118.824 0.738 . . . . 0.0 111.558 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -56.18 -46.28 79.44 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 118.951 0.796 . . . . 0.0 109.001 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.34 -42.91 74.46 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.621 0.646 . . . . 0.0 110.179 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 -60.88 2.9 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 123.282 0.633 . . . . 0.0 110.007 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 mppp? -61.15 -34.79 75.58 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.472 0.578 . . . . 0.0 111.057 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -56.77 -36.27 69.64 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.246 1.819 . . . . 0.0 111.861 174.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -90.0 -5.27 56.83 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 117.761 -1.114 . . . . 0.0 113.295 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.19 1.98 20.23 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 119.593 1.088 . . . . 0.0 114.944 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.71 150.06 49.11 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 119.131 1.465 . . . . 0.0 112.249 -167.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.0 167.89 14.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 114.433 -1.258 . . . . 0.0 108.8 170.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -61.24 1.85 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.286 1.435 . . . . 0.0 111.612 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.2 m -62.12 -30.01 70.73 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 118.592 0.633 . . . . 0.0 109.501 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.9 ttp -60.1 -66.23 0.55 Allowed 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 171.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.84 -34.83 55.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 119.613 1.097 . . . . 0.0 112.804 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -48.89 72.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 117.767 -1.111 . . . . 0.0 110.873 172.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -50.29 -54.12 23.66 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 125.804 1.641 . . . . 0.0 110.559 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -56.97 -40.16 75.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 117.03 -1.462 . . . . 0.0 111.809 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.94 -47.2 77.08 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 CA-C-O 117.27 -1.347 . . . . 0.0 109.938 175.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.41 -36.18 77.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 120.907 1.685 . . . . 0.0 110.647 -172.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 58.4 mt -72.79 -47.68 48.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.144 0.977 . . . . 0.0 109.495 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.6 t -64.56 -56.57 15.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 124.332 1.053 . . . . 0.0 110.044 -177.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -51.12 -40.67 59.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.958 1.703 . . . . 0.0 108.417 173.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.4 -1.38 64.79 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 127.802 2.62 . . . . 0.0 115.153 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.9 m -122.32 -26.28 4.67 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.198 1.999 . . . . 0.0 111.729 170.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -21.49 3.14 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.94 2.155 . . . . 0.0 113.556 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.03 -46.31 2.09 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 120.456 -1.402 . . . . 0.0 110.081 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -46.09 68.51 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 124.546 1.138 . . . . 0.0 112.044 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.2 m -68.59 115.07 26.52 Favored Pre-proline 0 N--CA 1.447 -0.58 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -73.25 154.91 51.79 Favored 'Trans proline' 0 N--CA 1.445 -1.382 0 C-N-CA 121.815 1.677 . . . . 0.0 108.854 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -160.19 170.95 20.09 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 124.919 1.288 . . . . 0.0 108.226 166.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -171.9 0.57 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 168.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.48 -15.85 1.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.131 0.972 . . . . 0.0 112.787 163.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -74.19 92.23 2.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -171.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -54.23 -27.92 37.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.533 1.133 . . . . 0.0 113.943 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 50.3 m -61.58 -52.07 65.95 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 119.256 0.935 . . . . 0.0 109.146 171.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.7 mm -56.25 -52.24 53.84 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 125.496 1.518 . . . . 0.0 109.173 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -46.71 -66.95 0.33 Allowed 'General case' 0 N--CA 1.437 -1.125 0 C-N-CA 125.719 1.608 . . . . 0.0 111.692 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.8 m -58.86 -35.16 72.51 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 124.057 0.848 . . . . 0.0 111.939 -176.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -47.47 69.04 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.208 1.003 . . . . 0.0 110.392 172.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.97 -39.83 84.74 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 118.715 -1.047 . . . . 0.0 112.137 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.02 -43.21 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 118.674 1.237 . . . . 0.0 108.548 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.79 90.8 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.064 -1.022 . . . . 0.0 111.934 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 94.3 m -70.14 -39.03 75.62 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 118.21 -0.9 . . . . 0.0 112.517 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 16.1 p -65.76 -49.99 66.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.771 1.169 . . . . 0.0 108.904 173.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -54.32 -45.94 72.74 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.782 1.633 . . . . 0.0 111.014 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -47.9 -53.11 16.82 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.289 1.035 . . . . 0.0 110.128 175.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.01 -40.88 77.49 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.281 0.491 . . . . 0.0 110.563 -176.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -58.59 -42.66 88.57 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.98 0.809 . . . . 0.0 111.075 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.36 -41.68 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.219 0.607 . . . . 0.0 110.016 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -59.74 -52.6 64.81 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.564 173.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -53.77 -42.84 68.68 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.676 1.126 . . . . 0.0 111.89 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.99 -5.06 28.21 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.511 1.124 . . . . 0.0 112.632 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 36.3 t30 45.59 50.61 10.45 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 126.547 1.939 . . . . 0.0 110.846 -168.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 36.7 m0 -95.28 1.5 54.51 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.712 174.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 C-N-CA 125.809 1.643 . . . . 0.0 108.731 167.139 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 119.782 -0.152 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.79 -50.82 13.65 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 127.354 2.262 . . . . 0.0 111.844 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.57 -42.05 67.15 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.748 1.219 . . . . 0.0 111.907 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.1 t -70.73 -34.77 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 123.706 0.802 . . . . 0.0 109.55 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -49.82 72.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.648 1.113 . . . . 0.0 108.631 172.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -57.69 -51.57 68.97 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 125.003 1.321 . . . . 0.0 110.275 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.48 -43.68 93.42 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 125.328 1.451 . . . . 0.0 112.232 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.29 -53.05 60.99 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 174.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -59.02 -35.96 74.16 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.18 0.592 . . . . 0.0 111.976 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.1 tp -65.75 -50.45 64.73 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 124.233 1.013 . . . . 0.0 108.728 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -77.45 -34.34 54.47 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.885 -172.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -53.79 -51.72 62.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.18 1.392 . . . . 0.0 109.45 167.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.41 1.88 18.01 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 117.654 -1.637 . . . . 0.0 115.588 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -58.51 -60.55 3.62 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.526 2.163 . . . . 0.0 110.616 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.29 8.56 0.43 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.308 1.043 . . . . 0.0 113.805 -175.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.83 -47.04 87.34 Favored 'General case' 0 C--O 1.221 -0.409 0 O-C-N 120.775 -1.203 . . . . 0.0 110.766 -173.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.19 -34.23 76.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.594 1.558 . . . . 0.0 111.05 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.49 -52.89 41.27 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 173.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.2 m -56.41 -37.74 70.58 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.34 1.056 . . . . 0.0 111.819 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -58.79 -39.18 80.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.145 1.378 . . . . 0.0 111.673 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -90.73 -31.0 16.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.795 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.01 -46.59 71.84 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.901 1.228 . . . . 0.0 110.269 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mtp -117.32 3.72 12.57 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.772 0.829 . . . . 0.0 111.544 -162.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m 50.38 73.85 0.25 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.614 1.565 . . . . 0.0 110.769 -171.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 mt -112.84 129.88 56.29 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.1 p -68.62 167.23 15.55 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 125.211 1.404 . . . . 0.0 110.742 -167.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.44 -10.75 59.87 Favored 'General case' 0 C--N 1.333 -0.115 0 O-C-N 121.006 -1.059 . . . . 0.0 111.476 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.03 -30.93 60.59 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.888 1.275 . . . . 0.0 111.498 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.8 pt -65.31 -23.56 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 O-C-N 121.756 -0.59 . . . . 0.0 112.047 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -62.88 -31.7 72.8 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.874 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.67 -11.96 59.92 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.013 -0.994 . . . . 0.0 112.359 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -74.65 -70.51 0.4 Allowed 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 158.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -52.63 -25.65 11.34 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -173.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -72.72 -58.23 3.51 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.706 1.602 . . . . 0.0 109.766 172.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -88.45 11.14 17.8 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.539 1.536 . . . . 0.0 112.028 -173.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -53.58 -35.82 61.24 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.843 -1.161 . . . . 0.0 109.268 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -100.04 31.14 3.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.354 1.462 . . . . 0.0 113.665 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -71.5 169.03 16.28 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 119.422 -2.048 . . . . 0.0 109.269 165.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -77.19 91.16 3.72 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 126.247 1.819 . . . . 0.0 106.796 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.41 12.92 77.57 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-O 118.443 -1.199 . . . . 0.0 114.28 169.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -60.09 139.69 57.33 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.735 1.767 . . . . 0.0 109.072 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -113.06 155.78 24.28 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-O 122.842 1.306 . . . . 0.0 110.647 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt -132.0 117.13 32.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 127.7 2.4 . . . . 0.0 105.469 -160.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.89 -17.09 1.09 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -53.2 110.39 0.54 Allowed 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 125.269 1.427 . . . . 0.0 108.684 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.498 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 32.9 ttp85 -57.13 -26.12 59.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.377 0.989 . . . . 0.0 109.637 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -58.08 -37.33 74.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.548 1.139 . . . . 0.0 111.812 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.1 p -72.94 -41.66 64.24 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -175.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.68 -42.51 96.3 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -37.3 74.18 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.511 0.656 . . . . 0.0 111.725 175.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.01 -48.06 79.38 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.187 0.903 . . . . 0.0 110.338 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.0 mt -55.0 -51.68 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 124.999 1.32 . . . . 0.0 109.165 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -59.44 -38.34 80.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.419 0.687 . . . . 0.0 112.063 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.2 t -64.99 -46.16 82.6 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.119 0.568 . . . . 0.0 110.789 173.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.14 -49.64 76.83 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.175 0.898 . . . . 0.0 109.597 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.0 m -53.94 -47.56 71.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.969 0.804 . . . . 0.0 111.418 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.8 m -52.77 -55.64 21.39 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.681 0.673 . . . . 0.0 110.913 173.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -64.83 -17.94 64.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.584 -0.698 . . . . 0.0 111.678 -171.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.2 mt -97.0 12.21 33.31 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.302 1.441 . . . . 0.0 110.83 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 53.03 34.42 17.04 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 129.132 2.973 . . . . 0.0 112.344 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.41 ' SD ' ' HA ' ' A' ' 73' ' ' ALA . 67.0 mtm -83.74 -1.61 54.53 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.187 -0.946 . . . . 0.0 112.351 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.3 mt -104.73 130.24 52.82 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 120.047 1.294 . . . . 0.0 108.374 171.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.401 ' HB2' ' HD2' ' A' ' 64' ' ' PRO . 49.8 p30 -73.66 171.73 10.09 Favored Pre-proline 0 C--O 1.242 0.681 0 C-N-CA 126.02 1.728 . . . . 0.0 108.225 175.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 63' ' ' ASP . 69.6 Cg_endo -67.68 4.33 1.44 Allowed 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 123.213 2.608 . . . . 0.0 112.718 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -104.73 -35.97 7.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.966 1.306 . . . . 0.0 107.805 -174.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.2 23.76 6.54 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 127.336 2.398 . . . . 0.0 112.755 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -134.6 29.0 3.59 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.106 1.762 . . . . 0.0 111.857 -147.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.5 tp 63.07 107.38 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.765 2.426 . . . . 0.0 112.121 -173.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -66.53 93.09 0.22 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.075 1.35 . . . . 0.0 109.138 172.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -42.35 -50.02 5.09 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.533 1.133 . . . . 0.0 110.55 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.16 -71.04 0.71 Allowed Glycine 0 C--N 1.338 0.657 0 C-N-CA 125.374 1.464 . . . . 0.0 112.539 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -74.75 -25.86 59.38 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.391 -169.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.41 ' HA ' ' SD ' ' A' ' 61' ' ' MET . . . -56.76 -46.6 81.34 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.156 0.982 . . . . 0.0 110.413 168.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.4 ttm -69.86 -42.25 73.78 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.124 0.97 . . . . 0.0 110.929 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.65 -53.24 58.94 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 124.059 0.944 . . . . 0.0 109.275 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.15 -44.23 67.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.8 0.84 . . . . 0.0 110.314 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.74 -63.61 1.18 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.543 0.61 . . . . 0.0 111.267 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -27.66 68.04 Favored 'General case' 0 N--CA 1.461 0.088 0 O-C-N 120.96 -1.087 . . . . 0.0 113.067 -172.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -52.01 -44.06 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 126.852 2.061 . . . . 0.0 109.792 170.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.05 3.66 25.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.932 0.893 . . . . 0.0 112.154 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.04 25.44 44.79 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 120.726 -1.234 . . . . 0.0 112.508 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.08 151.99 46.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.26 -1.141 . . . . 0.0 110.734 175.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.39 159.16 34.46 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -49.22 74.27 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.606 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 87.6 m -55.98 -49.83 72.51 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 118.758 0.708 . . . . 0.0 109.852 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.1 ttt -56.23 -47.39 78.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.256 1.022 . . . . 0.0 111.015 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.85 85.67 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.832 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -49.96 75.34 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 172.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -63.27 -35.86 81.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.622 1.169 . . . . 0.0 113.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.4 mt -69.4 -4.42 18.36 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.603 1.161 . . . . 0.0 111.906 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.97 -50.46 8.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 117.468 -1.253 . . . . 0.0 109.525 159.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.06 -42.11 79.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 120.916 1.689 . . . . 0.0 111.445 -169.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 53.7 mt -70.7 -38.28 72.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.949 0.9 . . . . 0.0 109.749 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.5 t -73.5 -65.98 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.109 0 C-N-CA 125.101 1.36 . . . . 0.0 108.594 -175.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -47.69 -38.15 14.5 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.126 2.57 . . . . 0.0 109.59 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.82 -67.17 2.32 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 125.013 1.292 . . . . 0.0 110.413 173.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.6 m -54.97 -26.42 36.43 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 117.102 -1.427 . . . . 0.0 112.749 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -49.98 -28.7 7.27 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 122.368 2.349 . . . . 0.0 113.5 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.06 -29.49 2.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 124.682 1.193 . . . . 0.0 112.339 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.0 m -64.25 -13.97 52.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.885 0.874 . . . . 0.0 112.956 169.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.0 m -111.78 114.73 51.79 Favored Pre-proline 0 C--O 1.238 0.494 0 C-N-CA 124.231 1.012 . . . . 0.0 108.49 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.01 140.57 31.62 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.595 2.197 . . . . 0.0 108.16 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -157.99 164.7 36.52 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 170.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -59.78 165.27 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.533 0.682 . . . . 0.0 109.896 160.043 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -0.76 0.67 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.351 1.86 . . . . 0.0 113.252 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 104' ' ' ASN . 8.5 t0 -72.29 91.53 1.33 Allowed 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.543 1.137 . . . . 0.0 108.027 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.526 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -49.54 -30.22 8.15 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 126.614 1.966 . . . . 0.0 113.111 178.76 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 19.1 m -60.8 -57.15 13.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 173.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.1 mt -64.43 -43.76 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.925 0.89 . . . . 0.0 110.668 -175.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.526 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 32.1 t90 -53.36 -58.72 6.1 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 124.471 1.109 . . . . 0.0 110.831 174.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.2 m -62.58 -33.03 74.14 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.471 0.578 . . . . 0.0 111.071 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.498 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -50.86 -53.76 29.63 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 124.41 1.084 . . . . 0.0 109.846 167.11 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.19 -48.96 83.4 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-O 118.526 -1.152 . . . . 0.0 111.257 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.49 -49.82 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.935 1.294 . . . . 0.0 109.122 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.69 95.82 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.26 -0.9 . . . . 0.0 111.364 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.9 m -65.94 -47.4 74.79 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.482 0.713 . . . . 0.0 111.135 -176.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.0 p -63.12 -49.1 75.73 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 119.102 0.865 . . . . 0.0 110.017 176.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -52.62 -44.94 66.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.291 1.036 . . . . 0.0 111.028 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -49.78 -53.07 27.35 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.943 1.297 . . . . 0.0 110.393 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.45 -30.43 66.93 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.394 0.543 . . . . 0.0 112.296 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -72.28 -35.78 68.8 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.093 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 13.8 mm -58.65 -42.26 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 120.301 1.409 . . . . 0.0 109.832 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -59.33 -50.22 74.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.683 0.793 . . . . 0.0 109.919 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -63.93 -36.55 84.3 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.96 -1.087 . . . . 0.0 112.08 -178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 34.0 mt -74.18 -2.89 26.67 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.09 0.956 . . . . 0.0 111.841 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 59.9 t30 58.61 31.97 21.65 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.411 1.484 . . . . 0.0 111.385 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -94.03 12.0 27.82 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.09 1.356 . . . . 0.0 110.521 170.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 127.1 2.16 . . . . 0.0 108.378 176.518 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -55.64 -44.37 77.1 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 128.025 2.53 . . . . 0.0 112.239 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -52.53 -53.62 43.74 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.716 2.006 . . . . 0.0 110.268 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 68.4 t -59.63 -49.02 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.7 tpt -53.45 -41.79 66.47 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 119.268 0.94 . . . . 0.0 110.17 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -59.45 -48.15 82.76 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 119.257 0.935 . . . . 0.0 109.872 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -55.5 -37.66 68.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.997 1.319 . . . . 0.0 111.294 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mp -67.03 -48.3 68.79 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.116 0.967 . . . . 0.0 110.227 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 t -56.48 -42.39 78.2 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.389 1.076 . . . . 0.0 109.94 176.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.47 -49.82 72.14 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 126.921 2.088 . . . . 0.0 107.216 -176.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.18 -41.45 66.99 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.702 -1.135 . . . . 0.0 112.661 -173.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.08 -43.74 82.41 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.36 14.34 8.98 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-O 117.193 -1.893 . . . . 0.0 115.623 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -54.25 -63.92 1.0 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 120.984 2.392 . . . . 0.0 109.419 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.73 25.99 0.33 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.687 1.195 . . . . 0.0 113.231 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.62 -51.15 69.66 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 120.622 -1.298 . . . . 0.0 110.743 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.61 -35.61 80.09 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.85 0.86 . . . . 0.0 111.626 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.62 -59.43 5.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 171.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.7 m -56.41 -31.87 64.31 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -63.56 -57.03 11.44 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.015 0.926 . . . . 0.0 110.087 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.78 -38.97 92.74 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 118.575 0.625 . . . . 0.0 111.18 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.81 -33.0 66.28 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.86 1.264 . . . . 0.0 112.576 -177.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.4 mtm -125.42 -2.38 7.46 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -170.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.1 m 50.18 83.54 0.04 OUTLIER 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.592 1.157 . . . . 0.0 109.8 -156.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.1 mt -108.63 151.17 26.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 163.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -75.45 161.02 29.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.114 -169.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.17 -18.54 61.25 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.766 -0.584 . . . . 0.0 109.426 171.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.08 -23.68 63.99 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.802 1.641 . . . . 0.0 113.2 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 pt -64.56 -23.63 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 CA-C-N 119.727 1.148 . . . . 0.0 111.113 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -55.55 -36.7 67.08 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.026 171.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.18 -40.48 78.09 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.005 0.922 . . . . 0.0 111.423 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.1 -43.77 77.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 118.68 0.673 . . . . 0.0 109.682 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -66.64 -42.33 86.86 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.97 0.908 . . . . 0.0 111.057 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.7 -39.41 91.38 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.33 1.052 . . . . 0.0 111.125 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -95.93 13.82 25.59 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.404 1.082 . . . . 0.0 111.979 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -61.01 -29.89 69.98 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 119.959 -1.713 . . . . 0.0 110.278 -177.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -105.16 28.62 7.09 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.028 1.331 . . . . 0.0 114.031 174.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -68.15 174.19 4.09 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 121.066 -1.021 . . . . 0.0 108.344 157.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.02 25.29 2.89 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -164.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.22 17.45 0.53 Allowed Glycine 0 CA--C 1.524 0.653 0 O-C-N 121.093 -1.004 . . . . 0.0 111.867 -171.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -54.49 139.24 38.28 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.022 0.929 . . . . 0.0 109.389 167.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -107.87 140.06 41.54 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 122.352 1.072 . . . . 0.0 112.985 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.9 mt -112.11 104.68 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 C-N-CA 128.87 2.868 . . . . 0.0 103.622 -161.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -131.98 -9.44 3.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.779 0.718 . . . . 0.0 112.839 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -64.27 104.3 0.74 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.685 1.194 . . . . 0.0 108.251 169.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.0 ttm105 -57.64 -29.74 64.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.966 0.907 . . . . 0.0 110.406 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.45 -24.03 66.37 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.388 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.1 p -71.01 -44.16 66.47 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 119.931 1.241 . . . . 0.0 108.805 174.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.4 -53.92 14.61 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.011 1.291 . . . . 0.0 111.246 171.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -31.07 69.33 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.572 -0.958 . . . . 0.0 113.452 177.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.63 93.03 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 119.639 1.109 . . . . 0.0 110.137 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.03 -46.91 87.91 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 C-N-CA 124.425 1.09 . . . . 0.0 108.711 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -60.21 -47.95 83.79 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.159 0.891 . . . . 0.0 111.956 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -58.54 -47.11 85.28 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.691 -0.631 . . . . 0.0 110.889 175.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.1 mt -60.18 -48.87 79.91 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.207 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.45 -43.63 55.23 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.73 1.15 . . . . 0.0 110.216 176.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 m -53.98 -54.43 39.15 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -72.44 -13.72 61.51 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.654 1.182 . . . . 0.0 113.928 -169.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -80.7 -0.67 39.33 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.405 1.457 . . . . 0.0 111.248 165.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 t30 58.56 30.31 19.63 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 127.668 2.387 . . . . 0.0 111.58 -164.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.8 mtp -79.94 2.95 21.52 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.497 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mp -118.35 125.29 49.72 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.06 1.344 . . . . 0.0 107.911 -172.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.32 166.66 6.46 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 126.53 1.932 . . . . 0.0 108.59 167.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -67.97 -16.95 46.17 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 122.691 2.261 . . . . 0.0 115.391 -164.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -88.82 -9.99 49.72 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.266 1.027 . . . . 0.0 110.785 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.25 19.33 21.44 Favored Glycine 0 N--CA 1.44 -1.044 0 C-N-CA 125.578 1.561 . . . . 0.0 112.712 172.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -91.74 153.42 19.64 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.403 -1.057 . . . . 0.0 109.101 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tt -69.39 127.61 33.64 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 118.577 0.626 . . . . 0.0 110.045 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -95.34 95.02 8.19 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 128.399 2.68 . . . . 0.0 107.803 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -57.84 -28.51 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.153 0.981 . . . . 0.0 112.385 -173.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.32 -64.28 4.51 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 125.645 1.593 . . . . 0.0 113.414 169.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -65.5 -30.12 70.85 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.614 0.721 . . . . 0.0 109.791 -177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.28 -41.12 97.04 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.182 -0.949 . . . . 0.0 112.312 174.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 24.0 ttm -72.06 -34.65 68.9 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 119.298 0.954 . . . . 0.0 111.573 173.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -57.31 -48.13 79.73 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -51.72 -45.74 63.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.846 1.258 . . . . 0.0 111.144 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.34 -60.55 3.24 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.256 1.022 . . . . 0.0 110.13 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -31.5 69.95 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 119.219 -0.42 . . . . 0.0 110.219 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -56.65 -51.42 68.79 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 126.087 1.755 . . . . 0.0 111.376 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -72.49 -17.83 61.72 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 117.408 -1.282 . . . . 0.0 113.324 -171.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.33 8.51 19.26 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 120.155 1.343 . . . . 0.0 111.968 -171.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.26 167.13 12.88 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 118.881 1.341 . . . . 0.0 109.32 178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.83 167.51 10.88 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -63.08 1.33 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.912 1.685 . . . . 0.0 111.152 -174.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 83.3 m -67.5 -23.43 65.47 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.104 0.411 . . . . 0.0 110.415 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.2 ttt -61.78 -57.76 10.63 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 169.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.26 79.85 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 119.719 -1.863 . . . . 0.0 112.444 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -73.35 -21.88 60.43 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 117.59 -1.195 . . . . 0.0 112.07 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -65.57 -58.9 4.65 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 120.546 1.521 . . . . 0.0 109.109 166.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.69 -41.53 73.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 119.74 1.154 . . . . 0.0 111.968 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.55 -28.02 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 116.7 -1.619 . . . . 0.0 110.933 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.87 -50.07 70.27 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 122.492 2.405 . . . . 0.0 109.866 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.3 mt -67.38 -49.75 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 125.316 1.447 . . . . 0.0 108.29 -174.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.71 -51.8 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.764 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.41 ' CD2' ' HE3' ' A' ' 99' ' ' LYS . 13.9 t-160 -56.23 -35.75 67.71 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.62 -68.86 1.48 Allowed Glycine 0 C--N 1.341 0.818 0 C-N-CA 125.945 1.736 . . . . 0.0 112.0 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 33.2 m -46.6 -41.53 14.69 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 116.319 -1.801 . . . . 0.0 111.423 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -50.37 -28.98 8.99 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 121.869 2.122 . . . . 0.0 112.445 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' HE3' ' CD2' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -100.72 -58.92 1.8 Allowed 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 125.287 1.435 . . . . 0.0 109.541 175.027 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.02 -38.09 78.45 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.463 1.105 . . . . 0.0 112.315 -168.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.4 m -61.09 114.8 11.57 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.09 137.4 21.47 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 122.14 1.893 . . . . 0.0 107.359 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -145.87 -176.75 5.26 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.515 0.674 . . . . 0.0 110.794 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -119.1 176.4 5.32 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.807 1.643 . . . . 0.0 107.358 162.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -3.11 11.95 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.887 0.875 . . . . 0.0 112.599 -171.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.57 97.37 0.78 Allowed 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 166.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -59.59 -22.16 61.38 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.847 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 18.5 m -55.87 -53.51 55.91 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 118.093 -0.956 . . . . 0.0 109.148 168.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.7 mm -67.73 -48.07 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 C-N-CA 125.738 1.615 . . . . 0.0 110.957 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -50.38 -60.24 3.2 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 118.703 0.683 . . . . 0.0 110.72 175.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.7 m -64.34 -31.29 72.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.319 0.963 . . . . 0.0 111.382 -177.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -54.81 31.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.729 1.212 . . . . 0.0 110.122 171.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.27 -45.22 95.67 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.644 -0.983 . . . . 0.0 110.644 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.1 t -57.82 -47.38 86.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 123.641 0.777 . . . . 0.0 109.371 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.8 95.09 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.856 -0.528 . . . . 0.0 111.012 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.1 m -72.43 -33.54 67.17 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 117.885 -1.055 . . . . 0.0 112.118 -173.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.5 p -67.52 -54.29 21.32 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.55 1.523 . . . . 0.0 108.585 170.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -51.74 -47.93 63.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.924 1.29 . . . . 0.0 112.412 -178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -49.23 -50.65 37.55 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.458 1.027 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.53 68.33 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -70.6 -41.08 72.79 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.275 1.03 . . . . 0.0 110.535 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 8.0 mm -57.93 -39.59 72.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.736 0.814 . . . . 0.0 109.128 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -63.48 -39.93 95.75 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.224 0.609 . . . . 0.0 111.402 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -66.66 -35.19 79.56 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.772 -0.58 . . . . 0.0 111.024 176.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.82 -11.15 59.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.778 1.231 . . . . 0.0 111.36 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 66.54 22.85 10.52 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 128.543 2.737 . . . . 0.0 112.67 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -82.25 29.09 0.43 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.267 -1.521 . . . . 0.0 113.749 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 117.804 -1.093 . . . . 0.0 109.183 160.281 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 118.945 -0.55 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -57.24 -42.56 81.69 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.839 0.855 . . . . 0.0 110.893 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -51.47 -52.17 48.76 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.042 0.937 . . . . 0.0 110.54 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.1 t -58.72 -46.52 90.56 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 124.037 0.935 . . . . 0.0 109.837 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 tpt -64.69 -36.47 84.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 119.468 1.031 . . . . 0.0 110.751 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -66.78 -47.67 71.41 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.386 1.074 . . . . 0.0 110.043 171.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -63.24 -32.49 73.9 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 125.244 1.417 . . . . 0.0 112.586 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.06 -49.92 76.05 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.568 1.147 . . . . 0.0 108.021 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.9 m -62.83 -30.87 71.81 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -66.13 -49.59 66.92 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -81.83 -29.17 32.73 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.819 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.24 -55.62 32.68 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.955 0.902 . . . . 0.0 108.736 170.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.81 34.92 1.42 Allowed Glycine 0 CA--C 1.525 0.7 0 CA-C-O 118.686 -1.063 . . . . 0.0 113.611 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -66.01 -72.98 0.14 Allowed 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 119.753 1.776 . . . . 0.0 108.209 166.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.9 26.26 0.06 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.21 1.404 . . . . 0.0 114.205 -169.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.58 -48.03 76.49 Favored 'General case' 0 C--O 1.223 -0.291 0 O-C-N 120.515 -1.365 . . . . 0.0 110.122 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -27.15 69.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.636 1.107 . . . . 0.0 111.174 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.23 -57.29 7.9 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 172.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.2 m -55.41 -37.78 68.07 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.855 0.862 . . . . 0.0 110.987 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -57.26 -59.32 5.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.424 1.489 . . . . 0.0 110.507 175.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -45.46 88.37 Favored 'General case' 0 N--CA 1.422 -1.874 0 C-N-CA 125.246 1.419 . . . . 0.0 109.263 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -43.02 98.76 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.264 1.026 . . . . 0.0 111.487 -173.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 45.3 mtp -112.1 -1.84 15.18 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 124.108 0.963 . . . . 0.0 111.746 -164.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.1 m 51.63 86.05 0.04 OUTLIER 'General case' 0 C--O 1.237 0.425 0 C-N-CA 126.697 1.999 . . . . 0.0 110.157 -163.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.33 143.38 48.41 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 123.296 0.638 . . . . 0.0 109.583 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -81.34 161.91 23.63 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.084 1.354 . . . . 0.0 111.902 -167.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.35 -15.68 63.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.14 -0.975 . . . . 0.0 111.547 168.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.59 -16.58 26.51 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.534 -0.746 . . . . 0.0 112.996 168.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.66 -33.46 8.45 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 120.038 1.29 . . . . 0.0 110.791 168.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -68.08 -29.44 68.39 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.551 1.541 . . . . 0.0 109.014 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.7 -44.16 87.0 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.092 1.757 . . . . 0.0 111.869 163.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -63.04 -60.27 3.67 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 118.854 0.752 . . . . 0.0 109.179 -176.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -54.76 -25.86 30.56 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.127 1.771 . . . . 0.0 113.156 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -77.36 -57.66 3.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.357 0.663 . . . . 0.0 110.733 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -79.73 -0.02 32.47 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.714 1.205 . . . . 0.0 111.83 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -49.04 -44.57 41.74 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.201 1.4 . . . . 0.0 111.142 -167.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -83.15 29.79 0.47 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.599 1.56 . . . . 0.0 114.399 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -168.34 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.086 -1.634 . . . . 0.0 108.4 162.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -118.96 23.76 11.22 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.541 -1.35 . . . . 0.0 113.685 -168.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.97 30.35 0.03 OUTLIER Glycine 0 CA--C 1.523 0.564 0 C-N-CA 125.349 1.452 . . . . 0.0 110.298 -176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.41 126.42 28.2 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -94.42 138.66 32.09 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 122.149 0.976 . . . . 0.0 110.799 165.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.0 mt -106.78 115.71 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 104.234 -2.506 . . . . 0.0 104.234 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -126.61 -14.06 5.82 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.698 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -68.65 120.66 14.99 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.256 0.935 . . . . 0.0 109.444 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -54.33 -30.8 52.57 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.68 0.792 . . . . 0.0 109.868 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.63 -38.01 89.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.925 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 p -68.23 -44.72 75.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.445 1.02 . . . . 0.0 108.904 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.8 -46.0 54.9 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.334 0.968 . . . . 0.0 112.175 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -33.9 62.12 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.542 177.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.25 77.12 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.837 1.199 . . . . 0.0 109.75 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.1 mt -53.83 -51.5 44.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.485 1.514 . . . . 0.0 108.812 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.7 ttm -57.62 -44.45 85.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.148 0.579 . . . . 0.0 112.221 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.1 t -60.37 -48.13 83.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.546 -0.721 . . . . 0.0 109.985 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.41 -41.45 84.98 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.197 0.599 . . . . 0.0 110.301 176.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.3 m -56.98 -51.68 68.25 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.055 0.843 . . . . 0.0 111.645 172.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 m -50.34 -49.11 54.97 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.451 1.478 . . . . 0.0 111.26 171.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -66.69 -10.97 52.02 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.547 -0.739 . . . . 0.0 112.541 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 mt -114.76 19.56 15.86 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.654 1.181 . . . . 0.0 110.361 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.5 t30 47.49 48.39 16.78 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 127.418 2.287 . . . . 0.0 109.843 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -97.96 10.13 41.05 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.284 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.5 mt -114.86 109.49 18.23 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 120.149 1.341 . . . . 0.0 108.269 170.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.6 169.88 0.93 Allowed Pre-proline 0 C--O 1.242 0.682 0 C-N-CA 127.611 2.365 . . . . 0.0 109.228 174.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -82.52 43.59 1.52 Allowed 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.402 2.735 . . . . 0.0 113.768 -155.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -149.81 -35.87 0.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 129.582 3.153 . . . . 0.0 109.371 -170.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.14 37.38 2.51 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.102 1.335 . . . . 0.0 110.996 -167.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -120.79 161.26 21.77 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.171 1.388 . . . . 0.0 108.62 173.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.9 123.82 23.54 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 120.063 1.301 . . . . 0.0 110.349 -174.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -76.66 84.68 3.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.969 0.908 . . . . 0.0 109.17 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -56.09 -33.94 65.55 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.053 1.341 . . . . 0.0 113.024 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.65 -62.44 6.36 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -66.37 -24.3 66.47 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 124.21 1.004 . . . . 0.0 112.626 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.72 -51.16 44.48 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.922 1.289 . . . . 0.0 110.7 172.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.7 ttm -62.93 -36.75 84.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.063 0.545 . . . . 0.0 111.064 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -46.22 89.82 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 118.87 0.759 . . . . 0.0 109.967 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -56.49 -40.14 74.45 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.856 0.462 . . . . 0.0 111.026 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.99 -56.28 16.26 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.664 0.786 . . . . 0.0 110.659 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -29.24 69.64 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.466 -0.771 . . . . 0.0 111.984 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -54.86 -42.35 71.92 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 125.391 1.477 . . . . 0.0 111.414 170.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -78.66 -5.13 52.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.255 0.622 . . . . 0.0 112.174 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.32 28.51 57.82 Favored Glycine 0 CA--C 1.524 0.602 0 O-C-N 121.056 -1.027 . . . . 0.0 111.748 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 140.15 58.25 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.46 1.13 . . . . 0.0 108.822 165.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.5 162.34 15.53 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 123.493 0.495 . . . . 0.0 109.858 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.17 -53.96 50.43 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 118.775 -0.631 . . . . 0.0 111.454 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.8 m -62.88 -34.58 77.7 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 118.684 0.675 . . . . 0.0 110.803 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.1 ttt -59.89 -58.18 9.66 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.46 74.26 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.548 -0.72 . . . . 0.0 111.752 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -61.04 -46.19 91.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 117.89 -1.052 . . . . 0.0 109.151 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -57.55 -54.06 51.15 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.427 1.491 . . . . 0.0 111.31 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.52 -45.06 77.17 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 120.766 1.621 . . . . 0.0 112.642 178.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.45 -43.14 87.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 CA-C-N 119.909 1.231 . . . . 0.0 109.85 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.3 -43.82 79.29 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 121.108 1.776 . . . . 0.0 111.127 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.52 -48.39 35.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.884 1.274 . . . . 0.0 109.733 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.444 HG21 ' CE1' ' A' ' 118' ' ' PHE . 41.1 t -58.9 -59.89 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 119.82 1.191 . . . . 0.0 108.811 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -53.96 -25.4 20.52 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.336 1.855 . . . . 0.0 109.821 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -76.19 -62.43 2.6 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 126.64 2.067 . . . . 0.0 111.568 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.58 -29.64 64.62 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 116.434 -1.746 . . . . 0.0 110.296 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -49.29 -27.88 4.26 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 121.951 2.16 . . . . 0.0 113.522 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 -37.52 4.43 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.222 1.009 . . . . 0.0 111.318 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 m -68.75 -22.75 64.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.625 1.17 . . . . 0.0 113.561 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.5 m -91.81 116.39 66.37 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 118.595 0.634 . . . . 0.0 110.117 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.99 133.64 21.93 Favored 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 122.718 2.279 . . . . 0.0 109.052 174.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -161.42 176.73 10.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 129.098 2.959 . . . . 0.0 107.108 170.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.438 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 0.8 OUTLIER -74.02 -169.82 0.82 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.296 0.569 . . . . 0.0 109.706 172.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.8 -3.43 18.84 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.677 0.791 . . . . 0.0 112.8 162.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.438 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 50.2 t0 -71.06 93.56 1.04 Allowed 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -32.65 37.57 Favored 'General case' 0 C--O 1.227 -0.098 0 C-N-CA 124.896 1.279 . . . . 0.0 110.663 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 22.5 m -60.12 -54.73 42.5 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 119.474 1.034 . . . . 0.0 109.622 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.5 mt -64.91 -41.16 91.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 125.183 1.393 . . . . 0.0 109.685 -173.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -57.48 -61.62 2.36 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.082 1.753 . . . . 0.0 111.945 172.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.0 m -59.59 -34.03 72.21 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.848 1.204 . . . . 0.0 111.666 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.2 -50.89 63.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.074 0.95 . . . . 0.0 110.104 169.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.66 -53.43 43.7 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.0 t -52.62 -47.2 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.767 1.227 . . . . 0.0 109.474 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.21 -31.31 71.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.33 -0.856 . . . . 0.0 112.969 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 25.5 m -79.17 -48.71 13.77 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.293 1.037 . . . . 0.0 110.737 -175.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 8.8 p -59.77 -43.23 94.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.005 0.821 . . . . 0.0 109.991 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.444 ' CE1' HG21 ' A' ' 94' ' ' VAL . 89.1 t80 -59.39 -46.66 88.07 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.546 1.138 . . . . 0.0 110.817 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -48.1 -51.61 23.88 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.195 0.907 . . . . 0.0 111.083 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.62 -33.1 71.08 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.49 -43.96 95.76 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 120.838 -1.164 . . . . 0.0 109.297 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.9 mm -57.34 -42.43 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 119.012 0.824 . . . . 0.0 110.342 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -57.1 -52.17 66.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.695 0.398 . . . . 0.0 110.334 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -58.93 -46.34 88.2 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.311 -0.868 . . . . 0.0 112.168 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.05 -13.75 29.21 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.748 1.219 . . . . 0.0 110.62 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 60.66 50.6 5.51 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 128.859 2.864 . . . . 0.0 110.622 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -110.03 25.48 11.74 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.284 1.434 . . . . 0.0 111.281 -174.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.942 0 O-C-N 121.201 -0.937 . . . . 0.0 109.12 172.396 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.467 0.383 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -62.49 -40.43 96.67 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.653 0.781 . . . . 0.0 110.456 -172.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -49.36 66.86 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 124.543 1.137 . . . . 0.0 110.664 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -65.46 -31.93 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.719 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -48.85 79.92 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.745 1.611 . . . . 0.0 109.212 174.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -56.49 -50.16 72.59 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.542 1.137 . . . . 0.0 110.247 176.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -65.45 -43.62 89.8 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.508 0.723 . . . . 0.0 112.066 -177.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.1 mt -59.33 -52.88 63.73 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 124.844 1.258 . . . . 0.0 108.753 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 p -66.41 -22.84 66.23 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.299 0.5 . . . . 0.0 112.238 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -73.23 -57.33 4.09 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 124.529 1.132 . . . . 0.0 108.098 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -64.28 -40.13 95.33 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.921 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.31 -48.14 65.58 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.998 0.919 . . . . 0.0 110.353 174.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.16 20.34 17.16 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-O 118.942 -0.921 . . . . 0.0 114.471 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -55.48 -65.35 0.61 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.817 1.809 . . . . 0.0 110.184 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.85 22.02 0.07 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.141 1.376 . . . . 0.0 112.676 -178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 tp -54.43 -51.09 66.05 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 119.857 1.208 . . . . 0.0 110.414 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -72.49 -34.69 67.84 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.526 -172.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -55.8 -58.34 8.25 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 170.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.6 m -55.94 -33.93 65.18 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.689 0.796 . . . . 0.0 113.134 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -60.91 -60.4 3.85 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -65.56 -39.3 91.52 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 118.955 0.798 . . . . 0.0 109.526 -174.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.55 -44.19 69.04 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.799 1.24 . . . . 0.0 112.447 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.0 mtm -112.77 8.03 18.72 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.316 1.046 . . . . 0.0 112.175 -172.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m 47.0 75.12 0.13 Allowed 'General case' 0 C--O 1.234 0.265 0 C-N-CA 126.123 1.769 . . . . 0.0 111.888 -166.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -112.08 164.32 13.28 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.7 p -104.14 173.25 6.38 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -157.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -28.85 64.71 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 115.617 -2.135 . . . . 0.0 110.367 171.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.37 10.51 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 124.903 1.281 . . . . 0.0 113.367 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.7 pt -65.47 -20.55 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 118.313 -0.851 . . . . 0.0 112.103 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -60.76 -34.47 74.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 120.301 1.41 . . . . 0.0 110.211 167.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -35.06 66.95 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -174.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -60.72 -63.47 1.29 Allowed 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 119.201 0.91 . . . . 0.0 108.931 169.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -63.53 -29.81 71.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -168.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -66.68 -58.94 4.09 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.465 1.506 . . . . 0.0 110.439 167.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -80.72 9.79 5.76 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.819 1.248 . . . . 0.0 112.305 -175.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -58.11 -34.9 70.69 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 119.975 -1.703 . . . . 0.0 108.245 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -101.79 19.79 17.55 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.45 2.3 . . . . 0.0 112.251 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -70.61 176.39 4.17 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-O 122.964 1.364 . . . . 0.0 109.686 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.06 32.28 0.14 Allowed 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 127.811 2.444 . . . . 0.0 116.103 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.01 2.76 4.61 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.32 0.962 . . . . 0.0 112.828 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -46.07 150.57 0.57 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.368 1.867 . . . . 0.0 112.538 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -111.19 136.18 50.64 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 122.194 0.997 . . . . 0.0 112.872 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.8 mt -107.45 104.43 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -129.67 2.3 4.96 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.796 0.725 . . . . 0.0 112.915 174.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -65.24 125.08 23.91 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.718 0.807 . . . . 0.0 109.821 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -67.03 -29.24 68.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.749 -1.22 . . . . 0.0 109.518 171.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -61.46 -37.26 82.92 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.4 p -73.82 -39.99 63.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.2 -45.82 43.49 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.887 1.232 . . . . 0.0 111.444 171.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -36.66 69.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 178.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.22 86.05 Favored 'General case' 0 CA--C 1.526 0.029 0 CA-C-N 118.995 0.816 . . . . 0.0 109.862 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.8 mt -51.19 -55.1 8.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.06 -41.15 96.07 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -176.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.8 t -59.09 -46.59 87.91 Favored 'General case' 0 CA--C 1.523 -0.066 0 O-C-N 121.669 -0.644 . . . . 0.0 110.304 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.3 -38.76 92.19 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 117.535 -1.221 . . . . 0.0 109.275 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -52.4 -51.68 57.8 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 120.642 1.565 . . . . 0.0 110.92 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 m -52.0 -59.79 3.94 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.693 0.678 . . . . 0.0 110.685 172.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -66.33 -16.56 64.15 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -170.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.2 mt -86.72 -2.86 58.87 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 120.927 -1.108 . . . . 0.0 112.275 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 42.25 81.76 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.543 1.937 . . . . 0.0 109.542 -151.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.9 mtp -122.97 6.65 9.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.773 169.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.8 mt -110.12 142.18 41.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.256 0.934 . . . . 0.0 108.807 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -71.5 170.34 12.27 Favored Pre-proline 0 CA--C 1.536 0.435 0 C-N-CA 124.276 1.031 . . . . 0.0 109.243 171.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -84.35 41.85 1.07 Allowed 'Trans proline' 0 N--CA 1.455 -0.747 0 CA-C-N 119.736 0.941 . . . . 0.0 110.622 -172.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -147.61 -23.92 0.37 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.95 2.1 . . . . 0.0 110.129 -173.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 115.71 -1.95 21.61 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 126.728 2.109 . . . . 0.0 113.69 173.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -78.7 172.54 13.57 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.685 1.243 . . . . 0.0 108.419 171.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt -72.11 141.13 49.17 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 120.704 -1.248 . . . . 0.0 110.063 163.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -84.66 108.6 17.47 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.592 0.757 . . . . 0.0 110.268 173.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -58.66 -36.21 73.8 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 120.54 -1.35 . . . . 0.0 113.96 -174.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.78 -67.28 2.12 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -56.92 -33.55 67.08 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -171.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.11 78.05 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.011 0.924 . . . . 0.0 109.938 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 42.0 ttm -69.55 -29.92 67.6 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 121.842 -0.536 . . . . 0.0 112.092 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.25 -42.11 99.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.598 1.09 . . . . 0.0 109.406 170.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -58.69 -40.09 82.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.25 0.932 . . . . 0.0 110.255 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.6 -59.16 4.61 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 123.726 0.81 . . . . 0.0 111.207 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -35.39 80.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.688 -0.672 . . . . 0.0 110.241 -175.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -46.47 -55.82 6.89 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.627 1.171 . . . . 0.0 111.147 167.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -75.26 -1.62 24.33 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.184 -0.912 . . . . 0.0 112.89 -174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.55 10.18 44.83 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 119.805 1.184 . . . . 0.0 113.078 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.98 149.07 50.44 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.567 1.184 . . . . 0.0 111.261 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.76 165.85 23.12 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 176.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.29 -54.33 18.23 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.515 -0.74 . . . . 0.0 111.391 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 61.2 m -58.51 -38.01 76.81 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 118.729 0.695 . . . . 0.0 109.76 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 9.6 ttt -57.54 -60.32 3.83 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.734 0.814 . . . . 0.0 108.91 173.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.47 74.11 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 119.044 -0.503 . . . . 0.0 111.749 -171.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.97 -39.95 68.97 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 117.05 -1.452 . . . . 0.0 110.536 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -49.9 -57.38 7.57 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 120.113 1.324 . . . . 0.0 109.505 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -48.26 72.6 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 117.114 -1.422 . . . . 0.0 112.932 177.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.69 -35.15 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 120.034 1.288 . . . . 0.0 111.023 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -64.87 -47.69 76.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 120.366 1.439 . . . . 0.0 109.009 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.3 mt -61.02 -55.64 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 124.17 0.988 . . . . 0.0 108.441 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.7 t -58.16 -52.43 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.437 1.095 . . . . 0.0 109.817 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -62.91 -43.25 99.29 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 -168.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.19 -60.67 7.82 Favored Glycine 0 C--N 1.343 0.942 0 C-N-CA 125.17 1.367 . . . . 0.0 110.271 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.2 m -55.18 -35.48 64.84 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 125.279 1.432 . . . . 0.0 112.713 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.7 -17.65 9.63 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 121.995 2.179 . . . . 0.0 113.118 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -113.03 -46.15 3.12 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.411 1.485 . . . . 0.0 110.678 171.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 m -57.05 -48.35 78.74 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.536 1.534 . . . . 0.0 112.331 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.0 m -62.11 124.17 81.0 Favored Pre-proline 0 N--CA 1.447 -0.6 0 C-N-CA 124.248 1.019 . . . . 0.0 110.31 -175.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.83 148.57 41.22 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.087 2.525 . . . . 0.0 109.872 165.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -151.33 -173.7 4.59 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.276 1.83 . . . . 0.0 108.553 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -109.29 -177.25 3.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 152.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -22.08 9.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 125.456 1.502 . . . . 0.0 113.056 -178.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -61.95 96.26 0.07 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.882 1.273 . . . . 0.0 109.521 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.408 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -48.11 -29.98 4.11 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.696 1.198 . . . . 0.0 111.567 168.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 38.8 m -61.1 -52.47 64.77 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.783 1.174 . . . . 0.0 109.594 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.9 mm -62.06 -49.31 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.671 1.588 . . . . 0.0 108.772 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.408 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 39.4 t90 -49.19 -58.55 4.81 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 125.73 1.612 . . . . 0.0 110.991 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.7 m -62.11 -37.85 86.66 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 119.5 -0.286 . . . . 0.0 111.142 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -46.76 69.12 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.412 1.085 . . . . 0.0 109.766 171.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.33 -49.28 62.03 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 123.978 0.799 . . . . 0.0 111.608 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.55 -44.3 84.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 118.117 0.958 . . . . 0.0 109.589 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.6 -33.26 75.5 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.615 -1.303 . . . . 0.0 111.751 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 m -80.18 -29.82 38.71 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 117.652 -1.166 . . . . 0.0 112.963 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.71 -54.46 31.26 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.903 1.683 . . . . 0.0 107.439 164.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -54.02 -44.11 70.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.847 1.659 . . . . 0.0 112.487 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -43.22 -60.94 1.48 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.818 1.247 . . . . 0.0 109.786 172.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.47 -31.86 68.22 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 123.102 0.251 . . . . 0.0 111.574 -171.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.57 -46.85 74.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.666 1.186 . . . . 0.0 111.152 172.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 13.9 mm -56.0 -42.93 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 120.655 1.57 . . . . 0.0 110.13 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -62.37 -42.91 99.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.35 0.66 . . . . 0.0 110.179 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -44.88 90.47 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 120.327 -1.483 . . . . 0.0 108.791 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.45 -10.7 59.84 Favored 'General case' 0 N--CA 1.438 -1.07 0 O-C-N 124.809 1.318 . . . . 0.0 110.552 -174.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.7 t30 69.77 28.99 4.23 Favored 'General case' 0 C--N 1.342 0.278 0 C-N-CA 127.802 2.441 . . . . 0.0 111.818 -176.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -94.74 42.43 1.09 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.508 1.123 . . . . 0.0 110.891 -173.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 131.169 3.787 . . . . 0.0 104.079 -146.614 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 N--CA 1.464 0.27 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -47.72 77.24 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.406 1.482 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -52.87 -56.36 16.4 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.611 1.164 . . . . 0.0 111.83 -165.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.9 t -69.99 -25.71 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 123.546 0.738 . . . . 0.0 110.509 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -49.66 72.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 119.674 1.124 . . . . 0.0 109.592 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -54.51 -55.91 24.27 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -59.85 -37.16 78.47 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 123.866 0.867 . . . . 0.0 112.618 -173.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.44 -55.11 34.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 124.446 1.098 . . . . 0.0 109.369 174.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 m -62.83 -29.57 70.83 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.53 -46.95 68.19 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.593 1.557 . . . . 0.0 108.158 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -77.1 -32.36 56.53 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.729 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.53 -49.59 67.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.744 1.218 . . . . 0.0 108.363 167.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.06 7.32 3.26 Favored Glycine 0 CA--C 1.537 1.46 0 CA-C-O 118.377 -1.235 . . . . 0.0 115.847 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -65.58 -40.27 92.54 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.599 2.699 . . . . 0.0 111.274 175.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.34 11.08 9.03 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.98 1.264 . . . . 0.0 113.737 -178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.13 -42.96 83.59 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 120.91 -1.119 . . . . 0.0 111.333 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.35 -28.99 65.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.316 0.646 . . . . 0.0 110.677 -172.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.6 -60.66 3.44 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.897 1.279 . . . . 0.0 108.193 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.3 m -54.31 -36.13 63.39 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.955 0.902 . . . . 0.0 110.872 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -61.37 -52.36 64.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 120.432 -1.417 . . . . 0.0 111.058 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 tttm -59.8 -50.15 74.94 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.54 -60.85 2.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.713 0.805 . . . . 0.0 110.862 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.1 mtp -94.58 4.5 53.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.381 0.673 . . . . 0.0 111.274 -161.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.5 m 46.76 87.86 0.02 OUTLIER 'General case' 0 C--O 1.236 0.382 0 C-N-CA 125.481 1.512 . . . . 0.0 109.806 -159.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.1 mt -115.73 143.81 44.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.447 0.567 . . . . 0.0 110.317 173.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -76.78 -171.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 122.868 1.318 . . . . 0.0 112.713 -173.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.13 -9.97 49.04 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 121.086 -1.009 . . . . 0.0 111.868 167.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.91 -24.68 67.6 Favored 'General case' 0 C--O 1.228 -0.057 0 CA-C-N 119.029 0.831 . . . . 0.0 111.287 177.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.66 -36.31 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 171.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -70.98 -16.87 62.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 123.72 0.808 . . . . 0.0 110.277 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.47 -51.71 11.24 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -55.34 -59.38 4.88 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -58.36 -30.63 66.91 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.63 -1.294 . . . . 0.0 113.699 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -69.83 -42.1 74.07 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.356 0.98 . . . . 0.0 111.277 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -105.18 0.39 27.29 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 125.25 1.42 . . . . 0.0 113.803 -167.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -45.61 -42.83 11.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 129.406 3.082 . . . . 0.0 111.651 -169.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -90.1 45.25 1.25 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.572 1.149 . . . . 0.0 113.112 173.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -81.93 172.44 13.28 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.409 1.084 . . . . 0.0 108.572 166.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -49.79 83.76 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 127.82 2.448 . . . . 0.0 112.069 163.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.63 29.48 7.74 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 117.406 -1.774 . . . . 0.0 115.0 174.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -48.31 147.2 2.4 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 119.819 1.809 . . . . 0.0 108.545 172.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -118.22 133.62 55.73 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 122.255 1.026 . . . . 0.0 109.723 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.3 mt -97.85 124.77 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 104.113 -2.551 . . . . 0.0 104.113 -163.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -124.25 -32.06 3.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -172.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.13 110.16 0.89 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.221 1.009 . . . . 0.0 110.235 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -54.56 -28.23 44.43 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.279 -0.888 . . . . 0.0 111.144 173.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.34 -31.7 73.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 117.495 -1.241 . . . . 0.0 112.38 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -41.3 73.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 120.347 1.431 . . . . 0.0 108.522 -178.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.92 43.36 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.72 1.152 . . . . 0.0 111.613 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -38.03 89.3 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.82 -0.812 . . . . 0.0 113.03 175.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.98 91.89 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.681 0.673 . . . . 0.0 109.976 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.42 -42.03 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.29 1.436 . . . . 0.0 109.562 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -62.07 -47.6 83.94 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.516 0.727 . . . . 0.0 111.064 176.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.33 -48.85 80.0 Favored 'General case' 0 N--CA 1.461 0.106 0 O-C-N 121.914 -0.491 . . . . 0.0 110.648 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.7 mt -54.82 -47.76 73.68 Favored 'General case' 0 C--O 1.227 -0.11 0 C-N-CA 123.823 0.849 . . . . 0.0 109.796 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -47.87 -58.67 4.08 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.887 0.875 . . . . 0.0 111.693 173.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -39.73 91.26 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 119.961 -1.712 . . . . 0.0 111.07 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -58.3 -43.51 88.12 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.421 1.088 . . . . 0.0 109.885 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -79.86 -12.24 59.76 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 126.419 1.888 . . . . 0.0 111.25 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t30 75.93 74.69 0.09 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 129.254 3.022 . . . . 0.0 109.297 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 23.0 mtp -131.12 16.63 5.08 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.665 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.3 mt -114.58 124.57 52.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 121.024 1.738 . . . . 0.0 107.957 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.61 166.4 3.32 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 124.477 1.111 . . . . 0.0 108.332 173.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -66.36 -17.03 53.34 Favored 'Trans proline' 0 CA--C 1.535 0.532 0 C-N-CA 121.925 1.75 . . . . 0.0 112.253 -175.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -85.78 -35.26 20.84 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 120.692 -1.255 . . . . 0.0 109.426 173.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.75 -1.46 17.78 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 129.089 3.233 . . . . 0.0 112.403 -170.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -72.33 25.51 0.05 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.383 1.873 . . . . 0.0 114.994 -172.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.6 tt 65.15 125.24 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.539 2.736 . . . . 0.0 113.412 -174.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -85.56 91.49 8.27 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.403 -0.811 . . . . 0.0 109.922 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -58.92 -36.3 74.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 123.996 0.918 . . . . 0.0 112.874 -173.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.14 -68.82 1.5 Allowed Glycine 0 CA--C 1.528 0.888 0 CA-C-O 119.424 -0.653 . . . . 0.0 111.571 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -51.18 -38.02 49.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.264 1.032 . . . . 0.0 112.473 174.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.72 93.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.076 0.853 . . . . 0.0 111.483 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.5 ttm -68.69 -40.71 79.94 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.177 0.991 . . . . 0.0 110.819 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -49.13 63.68 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.922 1.689 . . . . 0.0 109.459 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.66 -43.5 89.86 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.536 1.134 . . . . 0.0 111.306 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.93 -56.57 19.52 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.225 0.466 . . . . 0.0 110.336 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -29.56 70.85 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.577 0.751 . . . . 0.0 111.813 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -59.16 -40.43 85.57 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.946 1.298 . . . . 0.0 111.28 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -81.11 -17.24 50.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 117.961 0.346 . . . . 0.0 111.298 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.92 20.78 10.91 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.45 1.024 . . . . 0.0 112.714 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.71 147.69 52.97 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.798 1.299 . . . . 0.0 109.345 170.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.96 157.86 37.48 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -177.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -61.25 -49.16 78.23 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.41 1.484 . . . . 0.0 112.736 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -58.59 -43.84 89.65 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.6 ttt -59.31 -56.97 15.34 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.518 0.727 . . . . 0.0 109.303 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.29 68.44 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.193 -0.942 . . . . 0.0 112.729 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -68.98 -40.35 78.86 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 117.794 -1.098 . . . . 0.0 110.616 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -54.28 -48.74 70.89 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.923 1.238 . . . . 0.0 112.229 171.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.9 -54.78 25.4 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.645 1.111 . . . . 0.0 110.461 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.38 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 CA-C-O 117.093 -1.432 . . . . 0.0 109.926 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.01 -43.62 95.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 120.59 1.541 . . . . 0.0 110.617 -175.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.98 -42.51 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.7 t -62.81 -54.03 39.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.284 1.034 . . . . 0.0 109.807 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -53.17 -37.7 62.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.578 1.951 . . . . 0.0 109.092 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.69 4.74 27.14 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 127.543 2.497 . . . . 0.0 114.657 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.4 m -132.12 -33.15 1.35 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.728 1.764 . . . . 0.0 111.538 174.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.56 -19.99 11.87 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 121.793 2.088 . . . . 0.0 113.691 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -113.83 -48.53 2.91 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 120.463 -1.398 . . . . 0.0 109.688 171.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.4 m -50.43 -53.2 31.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.287 2.235 . . . . 0.0 113.165 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.2 m -59.21 123.3 69.15 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 124.653 1.181 . . . . 0.0 110.189 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.44 134.68 21.05 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.677 2.918 . . . . 0.0 110.548 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -148.18 166.1 28.92 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.452 0.701 . . . . 0.0 110.794 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.423 HD22 ' HB2' ' A' ' 106' ' ' ASP . 2.7 p30 -90.61 -176.62 4.79 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.116 1.767 . . . . 0.0 109.243 162.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -12.57 47.83 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.67 1.188 . . . . 0.0 112.561 -176.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.423 ' HB2' HD22 ' A' ' 104' ' ' ASN . 0.5 OUTLIER -63.52 97.91 0.16 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 172.06 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -53.06 -26.61 16.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.056 167.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 45.1 m -61.86 -54.28 44.23 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 119.904 1.229 . . . . 0.0 110.512 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.28 -38.47 82.69 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 C-N-CA 125.073 1.349 . . . . 0.0 108.804 -171.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -50.16 -72.97 0.04 OUTLIER 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 126.234 1.813 . . . . 0.0 110.706 168.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.3 m -59.66 -29.49 68.09 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.451 0.569 . . . . 0.0 111.694 -173.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.42 -57.38 7.07 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.096 0.958 . . . . 0.0 110.419 168.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.16 -33.3 69.18 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-O 118.553 -1.137 . . . . 0.0 112.167 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.97 -34.28 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 119.155 1.477 . . . . 0.0 109.452 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.63 -39.89 64.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.711 -1.243 . . . . 0.0 110.362 171.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.1 m -68.03 -42.86 79.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.081 0.855 . . . . 0.0 111.638 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 26.4 p -57.77 -54.18 49.78 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 119.554 1.07 . . . . 0.0 109.344 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.42 -42.74 74.55 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.59 1.956 . . . . 0.0 111.186 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.93 -51.96 64.47 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.251 176.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.52 -41.76 63.75 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.916 0.78 . . . . 0.0 111.167 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -62.07 -43.39 98.94 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 121.409 -0.807 . . . . 0.0 112.349 177.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.04 -41.1 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.385 0.993 . . . . 0.0 110.146 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -58.97 -46.29 88.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -63.37 -43.26 98.13 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.145 -0.972 . . . . 0.0 111.136 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.08 -15.3 63.63 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.927 1.291 . . . . 0.0 112.61 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.61 41.35 2.32 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.042 1.337 . . . . 0.0 110.608 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 23.7 m0 -113.11 29.88 7.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.196 0.999 . . . . 0.0 110.709 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 C-N-CA 125.461 1.504 . . . . 0.0 109.193 178.685 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.489 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -38.34 62.9 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 125.108 1.363 . . . . 0.0 111.525 171.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -41.75 -55.6 2.95 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 128.11 2.564 . . . . 0.0 112.916 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -85.73 -34.84 8.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 O-C-N 122.101 -0.375 . . . . 0.0 110.75 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -43.96 74.37 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.069 0.948 . . . . 0.0 111.607 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -57.34 -53.45 57.93 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.26 1.024 . . . . 0.0 110.455 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -62.23 -37.79 86.72 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.533 1.133 . . . . 0.0 112.02 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.93 -54.39 47.43 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 124.275 1.03 . . . . 0.0 108.887 176.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -71.32 -9.85 58.8 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.98 -0.533 . . . . 0.0 112.101 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -84.92 -53.94 4.99 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.525 1.13 . . . . 0.0 109.325 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.24 -27.97 69.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.677 1.191 . . . . 0.0 111.369 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -53.68 -45.88 70.46 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.603 0.761 . . . . 0.0 110.699 168.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.35 7.27 57.72 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-O 118.397 -1.224 . . . . 0.0 115.011 -176.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -58.84 -29.74 67.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 120.125 1.963 . . . . 0.0 112.743 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.65 14.04 33.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.301 1.04 . . . . 0.0 113.185 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.55 -51.41 69.56 Favored 'General case' 0 C--O 1.228 -0.077 0 O-C-N 121.091 -1.006 . . . . 0.0 111.346 -173.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -66.4 -28.5 68.67 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.24 1.016 . . . . 0.0 111.065 -175.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.68 -54.47 27.05 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -31.41 70.78 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -55.47 -48.98 73.69 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 121.642 -0.661 . . . . 0.0 109.385 170.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -75.58 -20.37 58.66 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.35 0.977 . . . . 0.0 113.356 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.2 -71.48 0.26 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.334 0.97 . . . . 0.0 109.005 172.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.5 mtm -86.78 -0.8 57.04 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.238 1.415 . . . . 0.0 110.984 -165.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 m 61.19 68.64 0.72 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.82 2.448 . . . . 0.0 112.546 -176.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.8 mt -110.27 151.13 27.74 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -96.19 174.08 7.08 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.448 0.699 . . . . 0.0 110.208 -155.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -15.71 62.92 Favored 'General case' 0 N--CA 1.439 -0.996 0 O-C-N 120.825 -1.172 . . . . 0.0 111.657 172.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.27 -34.39 73.68 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 118.918 -0.563 . . . . 0.0 110.195 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 pt -67.8 -29.6 45.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 119.265 0.939 . . . . 0.0 111.277 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -61.39 -33.65 74.02 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 119.836 1.198 . . . . 0.0 108.972 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -45.09 74.56 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 175.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -47.45 84.59 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 119.404 1.002 . . . . 0.0 109.777 -175.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -65.12 -44.7 87.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.876 1.27 . . . . 0.0 110.898 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -63.18 -54.35 38.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 119.025 0.829 . . . . 0.0 110.069 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -76.49 1.04 17.71 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 117.72 -1.133 . . . . 0.0 112.064 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -51.13 -41.81 60.32 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 121.533 1.969 . . . . 0.0 110.495 -172.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -82.61 8.07 12.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.354 1.462 . . . . 0.0 114.638 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -61.44 166.51 3.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 120.553 1.524 . . . . 0.0 108.966 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.1 40.33 0.91 Allowed 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.725 1.21 . . . . 0.0 113.811 -169.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.83 12.54 0.47 Allowed Glycine 0 CA--C 1.525 0.696 0 CA-C-O 118.602 -1.11 . . . . 0.0 113.849 171.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -55.23 140.9 37.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.47 1.135 . . . . 0.0 109.938 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.03 134.63 50.65 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.093 0.957 . . . . 0.0 110.619 171.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.5 mt -96.69 112.71 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 -176.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -128.17 4.48 5.82 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 174.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -65.41 106.29 1.36 Allowed 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 166.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -57.71 -27.62 63.1 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.018 -1.051 . . . . 0.0 109.825 166.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.68 -36.02 71.38 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.967 174.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 p -69.7 -40.5 76.28 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 120.323 1.419 . . . . 0.0 108.247 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.91 -47.8 52.94 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 118.962 0.801 . . . . 0.0 111.24 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.56 -35.65 73.2 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.876 -0.779 . . . . 0.0 112.928 176.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.24 -50.9 71.17 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.165 0.893 . . . . 0.0 110.766 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.92 -46.31 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 127.465 2.306 . . . . 0.0 108.483 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 10.8 tmm? -60.42 -51.26 70.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.757 0.708 . . . . 0.0 110.805 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.9 t -51.22 -51.8 50.48 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 123.363 0.665 . . . . 0.0 110.078 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.8 mt -53.82 -54.4 38.9 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.347 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.8 m -52.53 -48.77 65.87 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 119.751 1.16 . . . . 0.0 112.127 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -41.96 89.96 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.025 0.83 . . . . 0.0 111.45 176.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -60.18 -35.17 74.77 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.812 -1.18 . . . . 0.0 111.086 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -76.17 -4.54 42.22 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.064 0.847 . . . . 0.0 112.395 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t30 62.54 41.67 9.4 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 129.114 2.966 . . . . 0.0 112.342 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.6 mtt -88.5 -3.32 58.84 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.971 -1.081 . . . . 0.0 112.821 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 69.8 mt -103.29 123.16 46.25 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 171.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.12 -178.71 1.1 Allowed Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 126.483 1.913 . . . . 0.0 110.332 -172.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -57.95 -5.81 2.24 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.47 2.78 . . . . 0.0 115.206 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -100.39 -21.94 15.23 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.374 1.069 . . . . 0.0 111.106 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.7 26.92 66.13 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 118.46 -1.189 . . . . 0.0 112.4 -169.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -136.71 79.9 1.79 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.341 1.571 . . . . 0.0 108.566 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 tp 43.56 113.5 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 130.438 3.495 . . . . 0.0 115.252 -175.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -76.63 91.91 3.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 121.281 -0.887 . . . . 0.0 109.172 165.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -53.65 -39.06 64.71 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.049 0.939 . . . . 0.0 111.9 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.88 -70.29 1.02 Allowed Glycine 0 CA--C 1.523 0.58 0 C-N-CA 126.245 1.879 . . . . 0.0 111.734 171.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.9 -43.05 65.91 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.442 1.121 . . . . 0.0 111.136 -177.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.65 -52.94 58.35 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.411 1.084 . . . . 0.0 111.275 174.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.5 ttm -68.77 -38.01 79.74 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.912 -0.492 . . . . 0.0 111.351 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.48 -53.93 51.72 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.598 1.159 . . . . 0.0 108.439 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -53.76 -45.97 70.8 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.531 1.133 . . . . 0.0 110.804 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.45 -65.54 0.61 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.476 0.311 . . . . 0.0 110.231 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -54.95 -41.89 71.67 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.599 0.76 . . . . 0.0 110.058 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -50.29 -47.06 55.65 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 127.43 2.292 . . . . 0.0 113.812 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -73.47 -18.31 61.13 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.541 -0.724 . . . . 0.0 111.371 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.97 4.11 8.01 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.125 1.345 . . . . 0.0 112.617 -173.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.21 153.04 35.82 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 119.882 1.841 . . . . 0.0 110.513 -173.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.27 156.44 39.11 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.665 171.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.68 -64.8 0.7 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 129.509 3.124 . . . . 0.0 112.259 173.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.6 m -72.14 -24.59 61.48 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 120.929 -1.107 . . . . 0.0 110.094 -174.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -45.82 87.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.633 -0.667 . . . . 0.0 109.45 172.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.59 96.81 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 118.713 -0.66 . . . . 0.0 111.065 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -69.09 -35.23 76.27 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.862 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -58.51 -50.68 72.87 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 125.192 1.397 . . . . 0.0 110.16 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.4 mt -51.33 -51.7 51.99 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 118.333 -0.841 . . . . 0.0 109.449 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.53 -44.03 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-O 117.642 -1.171 . . . . 0.0 110.255 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -59.06 -30.68 68.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 120.613 1.551 . . . . 0.0 112.152 -174.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 40.5 mt -91.04 -43.91 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.872 1.269 . . . . 0.0 110.0 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.2 t -62.37 -54.63 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 119.938 1.244 . . . . 0.0 108.518 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.425 ' CD2' ' HE2' ' A' ' 99' ' ' LYS . 8.7 t-160 -57.83 -39.45 77.68 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.51 1.124 . . . . 0.0 109.157 173.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.49 -16.71 55.56 Favored Glycine 0 C--N 1.341 0.814 0 C-N-CA 126.737 2.113 . . . . 0.0 113.85 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 52.1 m -109.34 -40.12 5.01 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 116.332 -1.794 . . . . 0.0 111.069 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -49.5 -29.09 6.18 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 122.409 2.368 . . . . 0.0 114.622 -170.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.425 ' HE2' ' CD2' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -120.48 -4.89 9.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.274 1.03 . . . . 0.0 112.604 178.054 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.4 t -87.17 -51.27 6.08 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.015 -1.053 . . . . 0.0 108.837 172.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.3 m -57.21 116.41 13.55 Favored Pre-proline 0 N--CA 1.443 -0.798 0 C-N-CA 127.484 2.314 . . . . 0.0 109.527 -175.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.64 129.2 8.18 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.939 2.426 . . . . 0.0 109.322 174.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.06 177.57 10.66 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.077 1.751 . . . . 0.0 108.765 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.493 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 1.1 m-20 -81.0 -168.48 1.82 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.572 1.149 . . . . 0.0 110.174 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.85 -16.2 57.62 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.441 0.697 . . . . 0.0 111.521 159.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.493 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 9.0 t0 -69.62 96.12 0.92 Allowed 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 121.775 -0.578 . . . . 0.0 110.348 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -52.13 -32.75 36.86 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.263 1.425 . . . . 0.0 111.845 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.0 m -63.84 -52.72 58.84 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.748 1.158 . . . . 0.0 108.894 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 11.2 mm -57.8 -49.19 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.702 1.201 . . . . 0.0 109.59 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -50.18 -65.78 0.5 Allowed 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 126.782 2.033 . . . . 0.0 110.806 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.4 m -59.86 -33.53 71.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.893 0.769 . . . . 0.0 112.155 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.73 -52.91 62.29 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.684 1.129 . . . . 0.0 109.225 170.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.18 -45.61 93.82 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.852 0.751 . . . . 0.0 112.115 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.4 t -62.76 -27.5 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 125.265 1.426 . . . . 0.0 110.257 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -77.02 -45.92 25.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 120.615 -1.303 . . . . 0.0 110.365 172.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.6 m -64.03 -33.8 76.56 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.068 1.303 . . . . 0.0 112.782 -173.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 p -70.67 -51.1 30.01 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.582 1.083 . . . . 0.0 109.687 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -54.92 -45.93 74.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.819 1.648 . . . . 0.0 110.896 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -45.88 -59.57 2.74 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 126.23 1.812 . . . . 0.0 110.256 172.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.57 -39.15 48.75 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.513 0.597 . . . . 0.0 111.889 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.24 -41.75 96.84 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.302 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 16.1 mm -60.11 -44.66 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 120.527 1.512 . . . . 0.0 110.365 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -59.03 -36.99 75.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.216 0.606 . . . . 0.0 110.588 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -78.0 -46.13 21.88 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.059 0.944 . . . . 0.0 111.254 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.74 -14.72 34.64 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.59 1.556 . . . . 0.0 111.305 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 62.51 42.62 8.53 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.763 1.625 . . . . 0.0 110.761 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -100.5 11.49 39.35 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.366 163.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.266 0 N-CA-C 106.317 -1.735 . . . . 0.0 106.317 151.834 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 119.663 -0.208 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.71 -41.43 73.8 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.746 1.218 . . . . 0.0 112.467 178.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -53.11 -52.28 59.15 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.17 0.986 . . . . 0.0 110.845 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -69.78 -47.8 68.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.148 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 tpt -47.86 -52.98 17.1 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.357 1.463 . . . . 0.0 111.248 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.03 -47.74 77.28 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.716 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -67.88 -35.42 78.48 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.617 1.167 . . . . 0.0 112.457 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.45 -54.98 39.0 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 170.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 t -64.54 1.21 0.86 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.956 1.703 . . . . 0.0 113.089 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 tt -104.29 -53.82 2.65 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.197 1.799 . . . . 0.0 107.855 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -61.13 -36.36 79.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.128 1.371 . . . . 0.0 111.453 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -47.51 -49.57 25.65 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.516 1.127 . . . . 0.0 110.937 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.29 11.38 63.39 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.974 -0.904 . . . . 0.0 114.588 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -57.04 -41.96 79.62 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 120.019 1.91 . . . . 0.0 112.911 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.59 20.09 12.41 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.09 0.956 . . . . 0.0 112.365 -176.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tp -52.44 -51.61 58.32 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.31 1.044 . . . . 0.0 110.428 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.32 -33.88 76.19 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 118.531 0.605 . . . . 0.0 110.512 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.63 -59.68 5.01 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -51.92 -42.03 62.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.407 1.083 . . . . 0.0 111.522 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -57.72 -61.65 2.37 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.05 -1.032 . . . . 0.0 109.701 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -61.21 -41.16 96.37 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.81 0.844 . . . . 0.0 110.479 -173.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -57.24 -50.34 73.2 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.792 2.037 . . . . 0.0 111.815 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.6 mtp -99.51 -4.94 30.15 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.716 0.806 . . . . 0.0 111.715 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 83.2 m 40.17 83.27 0.02 OUTLIER 'General case' 0 C--O 1.24 0.586 0 CA-C-O 123.116 1.436 . . . . 0.0 111.151 -150.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.2 mt -97.36 -175.72 3.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 113.786 -1.552 . . . . 0.0 106.836 154.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.3 p -107.35 176.25 5.22 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 125.984 1.714 . . . . 0.0 109.007 -169.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.33 -9.61 35.35 Favored 'General case' 0 N--CA 1.441 -0.924 0 O-C-N 121.453 -0.78 . . . . 0.0 111.788 162.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.35 71.98 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.792 -0.568 . . . . 0.0 112.18 172.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.7 pt -61.82 -26.92 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-N 119.354 0.979 . . . . 0.0 111.639 170.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -61.46 -31.33 71.29 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -46.03 38.68 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.151 0.98 . . . . 0.0 111.611 174.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -61.13 -17.17 51.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.751 0.82 . . . . 0.0 111.127 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -95.79 -47.91 5.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 126.03 1.732 . . . . 0.0 112.345 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -61.54 -34.74 76.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.493 1.517 . . . . 0.0 110.908 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -104.76 13.9 30.56 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.761 1.224 . . . . 0.0 111.803 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -55.06 -46.43 75.4 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.823 1.192 . . . . 0.0 110.58 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -88.14 44.2 1.18 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.423 1.489 . . . . 0.0 111.397 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 175.1 9.99 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 120.571 -1.331 . . . . 0.0 108.002 158.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -99.51 24.86 7.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.2 1.0 . . . . 0.0 113.687 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.47 12.99 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.34 -0.7 . . . . 0.0 114.347 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -75.21 123.74 25.81 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 118.939 1.369 . . . . 0.0 111.491 -170.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -95.41 134.69 37.94 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.256 1.022 . . . . 0.0 111.27 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 55.1 mt -113.07 108.52 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -170.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -130.33 1.51 4.62 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -63.95 106.57 1.05 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -55.43 -27.01 45.25 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.147 -0.971 . . . . 0.0 110.518 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -70.04 -26.29 63.97 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.487 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.9 p -68.0 -44.44 76.58 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -53.69 -37.66 57.36 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 123.422 0.534 . . . . 0.0 112.986 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -39.2 55.18 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.417 0.608 . . . . 0.0 111.113 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.06 -49.29 72.0 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.56 -50.51 73.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 125.544 1.538 . . . . 0.0 109.705 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 19.0 ttp -53.56 -51.25 63.54 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 120.018 1.281 . . . . 0.0 111.583 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.98 -49.62 76.18 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.05 -45.94 89.49 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 117.897 -1.049 . . . . 0.0 110.294 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 m -56.14 -44.14 78.91 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 121.01 1.732 . . . . 0.0 111.766 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.9 m -53.02 -57.86 8.93 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -67.35 -13.32 61.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.032 1.333 . . . . 0.0 113.076 -170.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 mt -94.22 6.78 47.57 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.171 0.989 . . . . 0.0 110.899 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 62.24 37.55 14.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.894 1.678 . . . . 0.0 110.453 -177.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 36.0 mtm -98.64 -7.57 27.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 117.963 -1.018 . . . . 0.0 112.333 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mp -104.38 116.19 31.7 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -174.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -179.45 0.29 Allowed Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 126.477 1.911 . . . . 0.0 110.56 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -69.61 -3.56 12.17 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 121.821 1.681 . . . . 0.0 114.62 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -98.2 -23.04 15.85 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.042 1.337 . . . . 0.0 110.778 173.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.63 13.28 59.83 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 125.675 1.607 . . . . 0.0 112.074 -176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -121.24 58.41 0.97 Allowed 'General case' 0 C--O 1.233 0.204 0 C-N-CA 125.515 1.526 . . . . 0.0 107.502 -167.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 49.57 156.36 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.548 1 C-N-CA 132.48 4.312 . . . . 0.0 116.311 -177.077 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.08 89.6 2.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.412 2.285 . . . . 0.0 105.206 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -61.11 -30.54 70.43 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -173.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.48 -65.89 2.72 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.579 1.085 . . . . 0.0 111.298 166.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -71.38 -22.91 61.82 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.45 81.35 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.77 1.628 . . . . 0.0 111.662 169.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 17.5 ttm -66.01 -37.7 86.59 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 121.767 -0.583 . . . . 0.0 109.661 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -55.33 36.48 Favored 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -45.45 -48.16 13.81 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 123.869 0.868 . . . . 0.0 110.116 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.5 -68.02 0.3 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.613 0.765 . . . . 0.0 111.357 175.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.1 -38.37 73.27 Favored 'General case' 0 C--N 1.344 0.353 0 O-C-N 121.093 -1.005 . . . . 0.0 111.761 -173.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -47.49 -49.05 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.553 1.941 . . . . 0.0 110.992 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -78.52 -2.48 38.92 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.38 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.52 3.92 22.07 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.994 1.283 . . . . 0.0 113.188 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.39 146.15 54.93 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 119.631 1.716 . . . . 0.0 111.155 -165.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.55 160.33 16.82 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 122.209 1.004 . . . . 0.0 109.146 174.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -59.99 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.019 1.328 . . . . 0.0 110.413 176.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.7 m -68.69 -31.79 71.13 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 119.025 0.83 . . . . 0.0 110.551 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 9.5 ttt -55.42 -55.14 35.14 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 119.169 0.895 . . . . 0.0 108.979 170.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.04 -30.14 70.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 120.803 -1.186 . . . . 0.0 111.846 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -66.88 -42.12 86.08 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 119.415 1.007 . . . . 0.0 110.551 171.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -57.19 -48.45 78.72 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.666 1.587 . . . . 0.0 110.104 174.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 mp -55.74 -20.4 14.54 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 125.701 1.601 . . . . 0.0 114.949 175.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.0 mp -103.54 -32.35 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-O 116.694 -1.622 . . . . 0.0 111.335 171.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -60.56 -48.24 82.67 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 121.604 2.002 . . . . 0.0 109.348 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.6 mt -67.49 -49.82 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -176.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.2 t -67.52 -49.12 73.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 118.248 0.476 . . . . 0.0 110.516 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -58.15 -41.84 84.64 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.61 18.09 6.08 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 128.91 3.148 . . . . 0.0 114.42 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 67.5 m -131.8 -28.1 1.83 Allowed 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 125.651 1.58 . . . . 0.0 110.229 168.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -56.47 -17.31 7.79 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 121.857 2.117 . . . . 0.0 114.641 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 -43.6 2.23 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.601 -1.312 . . . . 0.0 108.81 173.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 m -55.86 -40.68 73.26 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 127.494 2.317 . . . . 0.0 113.695 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.8 m -69.17 118.03 57.79 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 171.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -77.94 140.37 18.12 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.518 2.145 . . . . 0.0 108.396 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.43 161.56 42.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.25 0.62 . . . . 0.0 109.361 170.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.61 162.91 3.54 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 151.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -62.23 -5.1 2.1 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.035 1.734 . . . . 0.0 113.69 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -68.53 97.12 0.75 Allowed 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -34.77 23.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 127.195 2.198 . . . . 0.0 115.714 -174.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.96 -45.52 85.38 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 119.976 1.262 . . . . 0.0 109.25 173.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.3 mt -63.51 -44.3 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 119.687 1.131 . . . . 0.0 109.926 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -50.68 -65.84 0.49 Allowed 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.2 1.4 . . . . 0.0 111.008 171.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.8 m -62.49 -34.31 76.59 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.156 0.889 . . . . 0.0 111.983 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.75 -47.31 70.77 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.034 1.288 . . . . 0.0 108.681 169.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.59 -45.42 96.36 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.153 0.883 . . . . 0.0 112.335 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 35.9 t -58.32 -39.46 74.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 118.866 1.333 . . . . 0.0 109.332 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.99 77.28 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.653 -1.279 . . . . 0.0 112.467 173.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.5 m -66.38 -41.33 89.54 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.152 0.887 . . . . 0.0 110.519 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.6 p -58.3 -49.73 76.14 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -65.78 -39.09 90.63 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 127.403 2.281 . . . . 0.0 110.673 -172.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -60.53 2.71 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 124.261 1.024 . . . . 0.0 109.275 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.95 74.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 118.848 -0.596 . . . . 0.0 111.325 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.66 -41.7 74.01 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 117.73 -1.129 . . . . 0.0 111.224 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 4.3 mm -60.49 -47.07 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 121.467 1.94 . . . . 0.0 110.29 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -65.38 -14.37 60.71 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 176.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -41.76 11.6 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 120.781 1.628 . . . . 0.0 109.175 172.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.69 -29.01 67.37 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -174.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 20.6 t30 95.42 27.58 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.32 1 C-N-CA 132.607 4.363 . . . . 0.0 110.511 167.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . 0.26 6.6 m0 -91.77 27.97 1.92 Allowed 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -168.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-N 119.119 0.872 . . . . 0.0 110.375 178.505 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -60.14 -33.43 72.16 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.965 172.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -58.95 -44.96 91.55 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.971 0.805 . . . . 0.0 110.052 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.13 -50.01 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.81 0.844 . . . . 0.0 109.444 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -38.34 86.09 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.944 1.247 . . . . 0.0 110.416 -176.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -57.33 -53.93 52.59 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 124.232 1.013 . . . . 0.0 109.535 169.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -53.54 -46.84 70.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.769 1.628 . . . . 0.0 111.595 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -59.71 4.48 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 127.639 2.376 . . . . 0.0 109.055 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 t -60.43 -28.37 68.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.145 1.378 . . . . 0.0 111.674 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -70.27 -55.06 10.17 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 125.433 1.493 . . . . 0.0 107.895 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -66.96 -33.5 75.71 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.202 -175.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -55.13 -36.88 66.23 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.513 1.125 . . . . 0.0 110.754 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.87 13.88 58.02 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 118.45 -1.195 . . . . 0.0 114.322 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -54.09 43.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 120.23 2.015 . . . . 0.0 111.089 -178.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.17 18.38 1.09 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.715 1.206 . . . . 0.0 112.641 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tp -57.96 -54.45 46.82 Favored 'General case' 0 C--O 1.223 -0.318 0 O-C-N 120.779 -1.201 . . . . 0.0 110.966 -174.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.02 -31.28 72.08 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.825 0.739 . . . . 0.0 112.591 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.22 -65.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 169.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.7 m -52.92 -35.69 58.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.915 0.886 . . . . 0.0 112.739 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -59.27 -53.27 60.15 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.422 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -70.58 -32.76 70.28 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.598 1.09 . . . . 0.0 110.8 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.98 -34.62 76.89 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.404 1.002 . . . . 0.0 112.805 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.0 mtm -116.97 9.52 13.74 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.738 1.215 . . . . 0.0 112.916 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.8 m 40.89 72.25 0.16 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-O 123.791 1.758 . . . . 0.0 111.254 -169.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.12 168.99 9.23 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 164.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.8 p -105.91 -171.51 1.92 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.626 1.203 . . . . 0.0 110.059 -159.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.5 -11.51 40.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.537 159.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -33.93 76.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 119.472 1.033 . . . . 0.0 109.897 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.5 pt -61.86 -30.93 49.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 CA-C-O 118.44 -0.791 . . . . 0.0 110.587 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -62.15 -33.66 74.92 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 119.107 0.867 . . . . 0.0 108.695 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -44.16 76.52 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.81 2.044 . . . . 0.0 111.264 176.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -58.19 -58.85 6.65 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -58.49 -34.04 70.46 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.236 -0.915 . . . . 0.0 112.226 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -43.36 86.53 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.662 1.185 . . . . 0.0 110.198 175.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -113.14 5.18 16.94 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 123.723 0.809 . . . . 0.0 111.924 -162.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -49.69 -42.26 45.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.133 1.773 . . . . 0.0 111.484 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -90.39 28.5 1.45 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.962 1.305 . . . . 0.0 112.719 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -79.48 174.52 11.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.885 1.274 . . . . 0.0 107.99 172.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.34 109.97 21.77 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 163.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.3 26.37 18.58 Favored Glycine 0 N--CA 1.466 0.688 0 C-N-CA 123.869 0.747 . . . . 0.0 114.463 166.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -87.98 145.08 26.18 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.573 1.149 . . . . 0.0 109.215 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -121.39 135.67 55.04 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-O 122.502 1.144 . . . . 0.0 110.568 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.414 ' CG2' ' HG1' ' A' ' 48' ' ' THR . 72.9 mt -102.44 105.04 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 104.186 -2.524 . . . . 0.0 104.186 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -116.9 -8.38 11.31 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 119.214 -0.422 . . . . 0.0 112.048 169.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -48.14 114.17 0.88 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 126.522 1.929 . . . . 0.0 110.808 173.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -64.18 -28.1 69.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.27 -0.893 . . . . 0.0 110.296 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.75 -28.06 63.39 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.299 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.414 ' HG1' ' CG2' ' A' ' 43' ' ' ILE . 67.2 p -66.3 -44.51 83.28 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-N 120.03 1.286 . . . . 0.0 108.17 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.22 -52.14 23.79 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 124.844 1.211 . . . . 0.0 111.022 174.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -30.81 69.51 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.45 -52.25 66.0 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 120.035 1.289 . . . . 0.0 109.559 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.4 mt -55.29 -45.82 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.306 1.442 . . . . 0.0 108.525 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -58.85 -51.33 70.45 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.929 0.892 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.4 t -57.62 -53.87 53.28 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 122.969 0.507 . . . . 0.0 110.365 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 76.9 mt -54.1 -45.25 71.8 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.338 1.055 . . . . 0.0 110.732 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -51.49 -56.83 11.2 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.7 0.8 . . . . 0.0 110.709 174.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -50.36 -54.12 23.96 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.131 0.878 . . . . 0.0 111.0 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -64.02 -21.79 66.65 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.282 1.033 . . . . 0.0 113.308 -170.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.7 mt -83.33 -2.28 55.32 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.919 0.888 . . . . 0.0 111.765 175.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 72.2 22.04 3.72 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 129.251 3.02 . . . . 0.0 112.226 -165.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.7 mtm -100.03 52.62 0.91 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.531 1.132 . . . . 0.0 110.733 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.5 mt -147.12 142.04 26.94 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 147.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.12 167.1 5.41 Favored Pre-proline 0 C--O 1.242 0.684 0 C-N-CA 126.193 1.797 . . . . 0.0 110.082 172.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.07 11.15 1.24 Allowed 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 124.038 3.159 . . . . 0.0 112.201 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -129.01 -2.51 5.17 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 127.85 2.46 . . . . 0.0 112.381 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.75 1.05 66.04 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 123.982 0.801 . . . . 0.0 114.922 168.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -76.98 170.84 15.78 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.99 0.916 . . . . 0.0 108.749 168.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.6 tp -53.57 155.89 2.84 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 155.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -113.4 106.14 14.23 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 163.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -49.61 -55.49 13.41 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.245 0.618 . . . . 0.0 111.0 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.89 -56.06 6.03 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.369 1.462 . . . . 0.0 113.571 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -70.18 -37.44 75.13 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.945 0.872 . . . . 0.0 111.798 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.77 -47.39 86.52 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.158 0.983 . . . . 0.0 111.404 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -43.24 99.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.27 1.828 . . . . 0.0 110.401 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -57.84 10.81 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 123.716 0.806 . . . . 0.0 109.376 172.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -49.06 -43.86 41.25 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.643 1.177 . . . . 0.0 110.575 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.0 -59.8 3.75 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 118.551 0.614 . . . . 0.0 112.365 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -61.25 -19.99 62.33 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.326 0.966 . . . . 0.0 112.752 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -70.62 -31.09 67.93 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 120.219 -1.551 . . . . 0.0 111.331 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -108.14 13.3 26.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.841 2.056 . . . . 0.0 113.465 -170.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.34 10.87 53.42 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-N 119.854 1.206 . . . . 0.0 114.468 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.43 129.7 35.23 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 119.413 1.607 . . . . 0.0 112.309 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.61 158.36 6.1 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 122.775 1.274 . . . . 0.0 110.299 166.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -53.88 50.7 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.052 2.141 . . . . 0.0 111.311 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 m -65.94 -39.1 90.19 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.97 -51.98 67.35 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 122.996 0.518 . . . . 0.0 109.732 176.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.24 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 119.091 0.86 . . . . 0.0 112.218 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -65.27 -47.87 75.18 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.369 173.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.05 -44.55 91.83 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.983 1.713 . . . . 0.0 110.594 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.01 -11.44 19.1 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.868 1.267 . . . . 0.0 112.396 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.1 -47.14 11.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 117.827 -1.082 . . . . 0.0 111.115 164.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.43 -30.68 71.77 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 120.985 1.72 . . . . 0.0 110.712 -168.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 56.3 mt -75.96 -47.92 30.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 123.834 0.854 . . . . 0.0 108.702 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.18 -63.13 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 125.033 1.333 . . . . 0.0 109.982 -178.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.596 ' CD2' ' HE2' ' A' ' 99' ' ' LYS . 19.1 t-160 -54.92 -46.95 74.97 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.018 1.327 . . . . 0.0 108.375 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.95 -23.32 56.64 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 118.394 -1.226 . . . . 0.0 113.277 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.9 m -95.41 -24.8 16.53 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 119.828 1.814 . . . . 0.0 112.029 171.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.42 -29.91 7.18 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 122.259 2.299 . . . . 0.0 113.293 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.596 ' HE2' ' CD2' ' A' ' 95' ' ' HIS . 0.5 OUTLIER -120.03 -35.45 3.48 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 124.971 1.308 . . . . 0.0 111.51 -175.226 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -34.36 64.1 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.369 1.067 . . . . 0.0 112.099 -178.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.1 m -69.13 121.13 80.75 Favored Pre-proline 0 N--CA 1.45 -0.441 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -74.5 145.85 34.09 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 122.654 2.236 . . . . 0.0 110.271 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.45 -174.33 3.93 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.292 1.437 . . . . 0.0 109.358 -174.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.31 2.6 p30 -112.66 -174.24 2.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 148.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -13.63 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.728 1.211 . . . . 0.0 111.752 178.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -66.17 96.05 0.32 Allowed 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.338 1.455 . . . . 0.0 110.274 171.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -44.71 -35.32 2.61 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.364 1.066 . . . . 0.0 111.969 167.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 34.5 m -61.94 -48.26 81.23 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 119.511 1.051 . . . . 0.0 110.083 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.0 mm -64.15 -45.18 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 125.487 1.515 . . . . 0.0 109.397 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -48.97 -66.94 0.32 Allowed 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.261 1.424 . . . . 0.0 110.471 172.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.0 m -60.98 -29.07 69.45 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.88 -56.23 13.27 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.889 0.876 . . . . 0.0 109.59 169.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.46 -38.31 69.55 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-O 119.236 -0.758 . . . . 0.0 112.533 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.54 -23.67 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 118.717 1.258 . . . . 0.0 108.8 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.4 -49.31 12.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.097 -1.43 . . . . 0.0 111.497 167.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -58.9 -37.97 77.83 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 121.579 1.99 . . . . 0.0 112.458 -171.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 20.2 p -61.05 -61.55 2.5 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -49.94 -46.95 52.65 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 126.327 1.851 . . . . 0.0 111.708 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -46.07 -57.8 4.15 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 127.413 2.285 . . . . 0.0 110.584 172.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.35 -32.22 72.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.076 0.853 . . . . 0.0 111.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.03 -41.22 82.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.674 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.2 mm -56.17 -45.42 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 119.642 1.11 . . . . 0.0 110.098 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -64.17 -28.35 69.69 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.16 0.584 . . . . 0.0 111.935 175.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -40.46 72.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 119.975 -1.703 . . . . 0.0 107.916 174.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.5 mt -75.28 -4.76 40.97 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.556 1.143 . . . . 0.0 111.388 -172.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.3 t30 58.54 23.83 11.26 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.359 2.263 . . . . 0.0 112.201 -171.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.1 m0 -86.06 27.46 0.9 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.44 1.896 . . . . 0.0 111.154 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 1 C-N-CA 131.776 4.03 . . . . 0.0 107.002 -164.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 55.8 -67.0 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 127.753 2.421 . . . . 0.0 113.01 -166.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -41.67 -69.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 129.883 3.273 . . . . 0.0 110.674 -167.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.88 -35.24 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.759 -175.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -47.49 85.46 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.21 1.804 . . . . 0.0 111.261 177.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.63 -45.74 85.02 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.052 0.941 . . . . 0.0 109.911 175.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -68.36 -36.77 79.69 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 122.639 0.375 . . . . 0.0 111.792 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.39 -46.49 86.22 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 125.032 1.333 . . . . 0.0 110.323 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -53.14 -44.68 67.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.255 1.422 . . . . 0.0 109.329 170.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.25 -38.51 68.87 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 120.664 -1.272 . . . . 0.0 111.208 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.9 -35.05 62.26 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.424 -174.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -56.5 -45.38 81.05 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 168.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.89 10.08 1.73 Allowed Glycine 0 CA--C 1.536 1.355 0 CA-C-O 117.878 -1.512 . . . . 0.0 116.573 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -58.73 7.27 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 121.26 2.53 . . . . 0.0 111.52 -176.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 22.55 0.13 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.182 0.993 . . . . 0.0 113.231 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 tp -55.79 -53.36 57.67 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 120.713 1.597 . . . . 0.0 110.973 -171.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.48 -28.2 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 122.058 0.932 . . . . 0.0 111.664 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.06 -58.71 5.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.165 170.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.1 m -57.78 -25.56 60.68 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.929 -1.107 . . . . 0.0 112.997 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -64.0 -59.67 4.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 124.214 1.006 . . . . 0.0 108.796 170.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -44.67 85.89 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 119.954 1.252 . . . . 0.0 110.669 -173.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.16 -35.81 17.72 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.507 1.523 . . . . 0.0 112.916 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mtm -119.55 -0.94 10.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.463 1.105 . . . . 0.0 112.721 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.1 m 46.49 82.83 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.821 2.049 . . . . 0.0 111.783 -161.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.0 mt -111.75 138.72 47.95 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.975 0.91 . . . . 0.0 108.93 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 p -75.41 160.22 30.5 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.191 0.996 . . . . 0.0 113.08 -167.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -11.53 60.86 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.158 -0.964 . . . . 0.0 111.969 173.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.28 -30.16 62.11 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.386 171.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 pt -68.8 -29.95 45.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.609 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -61.44 -28.47 69.3 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.01 1.277 . . . . 0.0 108.846 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -45.55 57.44 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 119.218 0.917 . . . . 0.0 109.489 171.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.51 -46.37 90.39 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 119.358 0.981 . . . . 0.0 109.777 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -63.87 -46.29 85.62 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 125.228 1.411 . . . . 0.0 111.54 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -62.24 -52.3 64.3 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.487 1.04 . . . . 0.0 110.368 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -74.09 2.36 9.05 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.783 0.833 . . . . 0.0 111.399 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.78 -27.34 68.82 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 119.544 -1.973 . . . . 0.0 111.909 -171.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -94.65 22.61 6.1 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -174.92 0.13 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.965 1.306 . . . . 0.0 110.748 168.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.37 54.27 0.89 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.568 2.347 . . . . 0.0 111.388 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.5 17.67 2.34 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.186 1.374 . . . . 0.0 113.378 174.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -62.3 156.72 21.49 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 118.343 1.071 . . . . 0.0 109.888 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -131.24 135.88 47.74 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 125.041 1.336 . . . . 0.0 109.399 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.9 mt -106.93 122.37 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 -170.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -133.12 -26.45 1.7 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 117.746 -1.121 . . . . 0.0 113.332 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -62.23 110.81 1.74 Allowed 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.466 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 2.2 ptm180 -55.81 -24.27 35.13 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.572 1.078 . . . . 0.0 110.768 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.04 -29.36 67.23 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.394 0.677 . . . . 0.0 111.962 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.7 p -71.1 -46.16 62.3 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-N 119.65 1.114 . . . . 0.0 108.73 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.21 -41.53 94.87 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -30.4 65.89 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.991 0.895 . . . . 0.0 112.447 175.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 -53.29 55.93 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.602 1.092 . . . . 0.0 109.887 170.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.9 mt -52.22 -47.78 44.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.274 1.429 . . . . 0.0 108.792 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -59.53 -53.08 62.26 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.566 -0.709 . . . . 0.0 111.526 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.99 -46.78 78.6 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 123.613 0.765 . . . . 0.0 111.092 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 76.7 mt -55.36 -52.1 64.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.174 0.99 . . . . 0.0 108.666 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.69 -44.9 57.99 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.278 0.631 . . . . 0.0 110.863 176.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.405 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -57.69 -55.76 30.66 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 178.13 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -64.06 -11.78 32.66 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.389 1.476 . . . . 0.0 112.687 -174.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.0 mt -96.35 20.95 9.7 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.83 1.252 . . . . 0.0 109.95 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' ND2' HD22 ' A' ' 72' ' ' ASN . 45.1 t30 59.39 19.22 7.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.895 2.078 . . . . 0.0 112.35 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -90.0 -17.39 27.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.64 1.109 . . . . 0.0 111.6 -171.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 57' ' ' THR . 1.3 mp -107.09 118.36 36.51 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -172.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 171.56 0.64 Allowed Pre-proline 0 C--N 1.317 -0.822 0 C-N-CA 124.806 1.243 . . . . 0.0 111.25 176.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -83.15 42.32 1.25 Allowed 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 121.786 1.657 . . . . 0.0 111.211 -171.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -145.53 -41.99 0.22 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.06 2.144 . . . . 0.0 107.084 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.43 15.33 1.45 Allowed Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.711 1.624 . . . . 0.0 113.525 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -109.32 151.67 26.29 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 119.202 1.501 . . . . 0.0 109.371 -168.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt -78.13 110.68 13.32 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 121.316 0.579 . . . . 0.0 110.14 -172.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -74.28 82.68 1.87 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.182 0.993 . . . . 0.0 109.075 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -51.34 -35.19 37.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.098 1.359 . . . . 0.0 113.36 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.4 -44.35 85.04 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.568 0.604 . . . . 0.0 112.477 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.415 HD22 ' ND2' ' A' ' 60' ' ' ASN . 23.1 t30 -85.92 -35.3 20.58 Favored 'General case' 0 N--CA 1.458 -0.048 0 C-N-CA 124.124 0.97 . . . . 0.0 111.014 -174.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.69 -43.97 37.52 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.949 1.7 . . . . 0.0 111.586 168.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.8 ttm -65.04 -40.64 95.09 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.815 0.846 . . . . 0.0 111.834 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -61.19 -42.64 98.94 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 118.884 0.766 . . . . 0.0 109.636 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -53.31 -44.94 68.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 118.164 0.438 . . . . 0.0 110.904 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.59 -56.96 10.54 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.498 0.719 . . . . 0.0 110.165 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -25.13 64.23 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.73 -0.606 . . . . 0.0 111.76 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -54.05 -53.82 47.78 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.534 1.134 . . . . 0.0 110.311 170.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -72.6 -20.21 61.34 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.386 -175.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.72 11.19 6.62 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.593 1.092 . . . . 0.0 113.782 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.83 141.82 54.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 119.04 1.42 . . . . 0.0 110.646 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 153.73 16.67 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 174.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -55.51 32.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.773 1.629 . . . . 0.0 109.174 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 m -65.84 -37.69 86.87 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 124.269 1.028 . . . . 0.0 110.163 -177.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.5 ttp -60.63 -50.52 73.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.91 -31.67 73.02 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.008 -1.058 . . . . 0.0 111.975 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -64.03 -45.79 87.29 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.819 170.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -55.01 -50.4 69.13 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.753 1.221 . . . . 0.0 110.068 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.1 mp -45.56 -60.84 1.96 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.724 1.21 . . . . 0.0 110.962 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.78 -29.84 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.648 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -69.46 -43.26 73.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 121.047 1.749 . . . . 0.0 110.302 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.9 mt -64.02 -50.8 75.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 125.092 1.357 . . . . 0.0 108.055 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.39 -49.73 79.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.429 0.691 . . . . 0.0 110.697 -175.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.13 -32.37 73.73 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.871 0.869 . . . . 0.0 109.84 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.58 -63.08 4.94 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 17.6 m -59.25 -23.56 62.46 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 115.414 -2.231 . . . . 0.0 113.48 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -48.24 -26.69 2.07 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 122.7 2.5 . . . . 0.0 112.349 175.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 -30.14 1.72 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.696 1.198 . . . . 0.0 112.871 176.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -40.37 89.1 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.545 0.611 . . . . 0.0 110.801 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 55.4 m -63.63 117.88 39.16 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -73.95 144.69 34.74 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 121.941 1.76 . . . . 0.0 109.633 165.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -146.91 -174.83 4.59 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.89 0.876 . . . . 0.0 109.859 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.86 168.01 10.91 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 149.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -68.23 3.34 1.71 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.535 1.134 . . . . 0.0 113.877 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.93 94.26 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 162.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -23.92 35.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 O-C-N 120.61 -1.306 . . . . 0.0 113.052 177.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 14.9 m -55.7 -60.81 2.93 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 167.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.7 mm -61.08 -44.33 98.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 125.865 1.666 . . . . 0.0 110.002 -175.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -55.49 -62.25 1.8 Allowed 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.334 1.053 . . . . 0.0 110.952 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.2 m -59.9 -34.27 72.97 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.825 0.739 . . . . 0.0 111.298 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER -50.66 -54.38 23.48 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.777 1.171 . . . . 0.0 110.365 169.195 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.55 -46.51 93.62 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.029 -0.873 . . . . 0.0 111.26 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.08 -49.36 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 118.088 0.944 . . . . 0.0 109.011 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.13 -16.36 61.45 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.494 -1.379 . . . . 0.0 112.267 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.8 m -88.41 -38.92 14.67 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.695 1.598 . . . . 0.0 111.326 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.1 p -59.5 -47.28 86.14 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -59.63 -45.92 90.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 117.123 -1.418 . . . . 0.0 109.906 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -44.17 -55.96 4.43 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.129 1.332 . . . . 0.0 110.886 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.6 -38.98 75.83 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.958 0.345 . . . . 0.0 111.094 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -59.9 -40.1 87.66 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 118.597 0.635 . . . . 0.0 111.017 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 5.5 mm -59.11 -50.91 78.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -58.21 -45.65 87.26 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.741 0.816 . . . . 0.0 110.951 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -64.25 -31.97 73.38 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.753 -0.592 . . . . 0.0 111.292 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.7 mt -82.24 -3.21 54.68 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.887 2.075 . . . . 0.0 111.68 173.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 63.74 18.77 11.35 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.963 2.505 . . . . 0.0 114.018 -177.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -77.98 34.79 0.2 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.804 2.441 . . . . 0.0 113.652 -173.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.429 1 C-N-CA 131.917 4.087 . . . . 0.0 109.165 -156.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 N--CA 1.465 0.286 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -21.46 57.04 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.681 -0.637 . . . . 0.0 111.954 -164.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.12 -58.78 6.28 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.267 1.427 . . . . 0.0 110.186 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -63.52 -44.23 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 121.463 0.649 . . . . 0.0 110.282 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.7 tpt -50.43 -49.58 54.42 Favored 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 124.873 1.269 . . . . 0.0 112.081 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -56.09 -51.39 68.07 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.294 1.406 . . . . 0.0 109.857 176.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -61.77 -32.95 73.26 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.962 1.305 . . . . 0.0 112.496 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -66.18 -45.15 81.89 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.082 0.953 . . . . 0.0 110.228 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -67.99 -26.49 65.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.763 0.711 . . . . 0.0 112.089 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.7 tp -71.72 -51.82 20.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -68.19 -34.18 75.79 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.416 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -56.02 -54.66 42.19 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 122.917 0.487 . . . . 0.0 110.12 170.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.47 4.07 7.38 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-O 117.392 -1.782 . . . . 0.0 115.545 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -52.07 -64.65 0.75 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.521 2.16 . . . . 0.0 110.287 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.98 18.31 0.64 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.872 1.269 . . . . 0.0 113.282 -174.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 tp -53.81 -54.98 30.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 124.574 1.149 . . . . 0.0 109.223 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -70.46 -32.5 70.08 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -170.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.18 -51.68 68.73 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 170.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.89 -34.71 76.52 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.549 0.34 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -57.29 -62.01 2.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -37.53 87.21 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.756 1.162 . . . . 0.0 110.808 -176.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.24 -30.32 64.53 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.609 1.163 . . . . 0.0 112.76 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mtm -119.07 -0.73 11.05 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.624 1.169 . . . . 0.0 111.655 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.1 m 48.33 73.02 0.23 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.3 1.84 . . . . 0.0 110.937 -165.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.9 mt -105.65 147.91 27.96 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 169.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.3 p -83.68 178.83 7.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.417 1.103 . . . . 0.0 111.232 -164.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -73.27 -34.05 65.59 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-O 116.79 -1.576 . . . . 0.0 110.144 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.52 43.51 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 124.409 1.068 . . . . 0.0 113.198 -166.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.3 pt -60.78 -24.84 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 124.456 1.102 . . . . 0.0 111.432 175.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -50.72 -38.27 46.36 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 119.69 1.132 . . . . 0.0 110.077 170.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -41.04 69.19 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.334 1.054 . . . . 0.0 108.859 -178.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.23 -23.37 62.91 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.176 0.991 . . . . 0.0 111.747 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -87.2 -46.84 9.37 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.995 1.718 . . . . 0.0 109.976 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -65.73 -54.31 28.97 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.722 1.609 . . . . 0.0 110.427 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -79.92 0.49 31.13 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 117.675 -1.155 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -46.79 -41.93 16.22 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 120.656 1.571 . . . . 0.0 112.623 -170.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -83.19 8.49 13.07 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 156.49 23.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 122.94 1.352 . . . . 0.0 110.134 176.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -80.54 24.14 0.48 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 -165.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 166.55 17.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.374 0.987 . . . . 0.0 112.774 -173.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -74.61 128.8 36.44 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 118.613 1.206 . . . . 0.0 109.972 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -101.56 149.87 23.66 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 123.007 1.384 . . . . 0.0 113.558 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.5 mt -121.23 122.72 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 C-N-CA 128.371 2.669 . . . . 0.0 104.202 -166.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -142.17 -23.58 0.68 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.141 1.164 . . . . 0.0 114.141 -171.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.46 117.14 7.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -53.4 -29.42 34.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.466 1.106 . . . . 0.0 110.195 166.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -58.58 -37.56 76.04 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.277 1.431 . . . . 0.0 111.59 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.8 p -74.61 -36.92 62.96 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 120.051 1.296 . . . . 0.0 109.475 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -54.71 -51.96 49.07 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -31.5 70.23 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 176.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.26 -49.97 72.02 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 120.233 1.378 . . . . 0.0 110.578 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.4 mt -53.1 -50.43 45.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 125.398 1.479 . . . . 0.0 108.277 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.3 ttp -60.35 -44.99 95.04 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.8 t -63.97 -43.37 95.96 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.072 0.549 . . . . 0.0 110.049 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.9 mt -58.6 -50.81 72.45 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.8 m -55.0 -42.3 72.32 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.89 1.223 . . . . 0.0 112.0 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.4 m -49.7 -53.58 23.79 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 120.313 1.415 . . . . 0.0 109.483 169.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -66.77 -18.03 65.17 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -173.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -93.85 12.09 27.08 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.923 1.692 . . . . 0.0 111.227 170.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 m120 57.66 29.55 17.46 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.905 2.082 . . . . 0.0 111.278 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.3 mtm -79.13 15.04 1.24 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 120.855 -1.153 . . . . 0.0 112.275 -175.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.3 mt -125.44 117.7 24.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 105.345 -2.095 . . . . 0.0 105.345 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.21 -178.81 0.83 Allowed Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 174.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.6 43.74 1.4 Allowed 'Trans proline' 0 CA--C 1.545 1.039 0 C-N-CA 123.975 3.117 . . . . 0.0 111.622 -176.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -146.94 -28.16 0.39 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 128.02 2.528 . . . . 0.0 109.83 -172.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.76 27.49 62.78 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-O 118.875 -0.959 . . . . 0.0 113.218 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -131.28 53.58 1.98 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.894 2.077 . . . . 0.0 107.757 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 tt 55.9 145.36 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 1 C-N-CA 132.178 4.191 . . . . 0.0 115.285 -175.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -91.1 93.79 9.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 173.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -53.35 -35.75 60.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.454 1.102 . . . . 0.0 111.601 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.8 -80.98 0.07 OUTLIER Glycine 0 CA--C 1.525 0.693 0 C-N-CA 126.805 2.145 . . . . 0.0 112.797 166.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.37 -23.23 62.38 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.043 1.421 . . . . 0.0 113.077 -171.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.74 -57.6 10.38 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.547 1.539 . . . . 0.0 110.685 168.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.8 ttm -62.92 -42.82 99.92 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.169 0.988 . . . . 0.0 111.449 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.52 -48.17 82.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -175.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -51.65 -44.17 62.91 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 122.848 0.459 . . . . 0.0 111.009 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.37 -66.06 0.59 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.787 0.835 . . . . 0.0 110.287 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -39.42 72.17 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.149 0.58 . . . . 0.0 110.381 -176.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -50.94 -45.56 60.69 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 126.08 1.752 . . . . 0.0 112.472 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -81.53 -2.71 50.88 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 117.888 -1.053 . . . . 0.0 112.989 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.76 9.32 21.15 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-N 119.429 1.013 . . . . 0.0 113.957 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.51 148.31 49.03 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.475 1.638 . . . . 0.0 111.124 -173.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.61 158.82 34.94 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 172.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.62 -55.0 40.75 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.578 1.551 . . . . 0.0 110.085 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.0 m -59.95 -43.47 94.98 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 123.294 0.638 . . . . 0.0 109.478 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.8 ttt -56.96 -52.14 66.38 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.046 0.938 . . . . 0.0 110.209 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.77 94.27 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 118.791 -0.623 . . . . 0.0 110.123 -176.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -68.19 -33.6 74.74 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.263 175.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.92 -53.54 56.69 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.124 1.37 . . . . 0.0 110.126 175.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -49.93 33.35 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.026 0.83 . . . . 0.0 111.174 176.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mp -73.93 -33.62 37.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 CA-C-O 117.162 -1.399 . . . . 0.0 110.76 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.09 -40.85 97.13 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 122.855 2.57 . . . . 0.0 112.2 178.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.2 mt -74.61 -47.68 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 124.16 0.984 . . . . 0.0 108.345 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.6 t -61.08 -56.14 19.93 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 123.544 0.738 . . . . 0.0 109.726 177.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.436 ' CE1' ' HZ1' ' A' ' 99' ' ' LYS . 55.0 t-80 -59.39 -30.23 68.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.145 0.978 . . . . 0.0 110.795 -175.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.92 -66.33 2.47 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 171.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.8 m -45.42 -36.08 4.1 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 116.42 -1.752 . . . . 0.0 111.713 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -47.91 -28.04 2.47 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 122.36 2.345 . . . . 0.0 114.665 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.436 ' HZ1' ' CE1' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -127.67 -30.65 2.52 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 124.902 1.281 . . . . 0.0 113.051 176.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.5 m -52.05 -44.02 64.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.465 1.106 . . . . 0.0 110.703 167.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.9 m -76.34 124.34 88.07 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 123.294 0.638 . . . . 0.0 110.143 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.8 141.02 18.95 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.503 2.802 . . . . 0.0 109.914 166.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.77 166.99 31.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.301 1.441 . . . . 0.0 109.156 171.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.93 169.71 14.25 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 159.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -66.29 -6.76 15.1 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.492 1.117 . . . . 0.0 113.613 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.41 93.46 0.07 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 172.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.68 -32.66 1.57 Allowed 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 127.72 2.408 . . . . 0.0 113.69 169.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 61.0 m -61.02 -53.82 52.49 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.27 1.395 . . . . 0.0 109.018 171.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 7.4 mm -61.33 -51.45 72.9 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 C-N-CA 125.191 1.396 . . . . 0.0 109.125 -175.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -50.75 -57.9 7.21 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 126.132 1.773 . . . . 0.0 111.238 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.0 m -63.25 -32.72 74.2 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.056 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -56.21 22.99 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.304 1.442 . . . . 0.0 109.517 167.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.84 -40.71 99.19 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-O 119.265 -0.742 . . . . 0.0 112.231 -175.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 75.0 t -59.69 -47.47 91.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 125.158 1.383 . . . . 0.0 108.718 175.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.19 98.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 121.38 -0.825 . . . . 0.0 111.059 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.4 m -70.44 -35.71 73.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.236 -0.888 . . . . 0.0 112.267 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.2 p -67.36 -43.95 80.22 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.872 1.669 . . . . 0.0 109.251 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -57.56 -46.49 83.88 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.015 1.326 . . . . 0.0 111.644 176.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -41.48 -59.26 1.64 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.377 1.471 . . . . 0.0 109.802 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.12 -40.49 64.24 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.609 0.764 . . . . 0.0 112.075 -172.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -59.02 -43.11 91.52 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 126.036 1.734 . . . . 0.0 110.945 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 16.3 mm -61.84 -40.59 87.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 123.354 0.662 . . . . 0.0 109.484 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -61.95 -42.85 99.59 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.066 -0.396 . . . . 0.0 110.864 171.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -60.43 -38.53 84.39 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.72 -1.237 . . . . 0.0 111.01 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.5 mt -73.15 -11.63 60.6 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.033 1.333 . . . . 0.0 111.334 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 59.5 t30 72.12 20.22 4.32 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.649 2.38 . . . . 0.0 112.641 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 42.5 m0 -84.26 16.09 3.21 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.337 1.855 . . . . 0.0 112.206 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.844 0 C-N-CA 126.933 2.093 . . . . 0.0 109.074 -178.529 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -46.39 -48.01 18.69 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 127.778 2.431 . . . . 0.0 112.666 173.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.71 -57.69 7.7 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.328 1.051 . . . . 0.0 111.415 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 p -69.98 -38.15 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 124.0 0.92 . . . . 0.0 111.647 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -44.9 67.33 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.543 0.737 . . . . 0.0 111.034 173.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -62.18 -47.51 84.17 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 124.782 1.233 . . . . 0.0 109.783 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -62.75 -36.46 83.11 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.12 0.968 . . . . 0.0 111.585 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.85 -50.64 61.88 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 126.22 1.808 . . . . 0.0 109.867 175.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -57.27 -35.89 70.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.533 1.133 . . . . 0.0 109.988 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.3 tp -69.04 -53.23 21.54 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.806 1.243 . . . . 0.0 108.656 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -66.43 -36.4 82.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.85 -173.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.41 -50.11 74.88 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.984 0.914 . . . . 0.0 108.858 172.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.09 22.36 2.45 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.956 1.265 . . . . 0.0 114.892 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -65.69 -63.02 1.19 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 120.037 1.919 . . . . 0.0 111.468 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.61 26.42 0.05 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.699 1.6 . . . . 0.0 113.767 -174.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -55.14 -54.02 48.58 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 124.759 1.224 . . . . 0.0 111.015 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.26 -39.04 93.47 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.989 0.813 . . . . 0.0 111.97 -176.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.7 -55.16 38.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 175.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -57.51 -38.31 74.41 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.132 0.973 . . . . 0.0 113.002 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -56.26 -50.31 71.7 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.655 1.182 . . . . 0.0 109.81 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -73.43 -40.01 64.56 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.622 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.4 -34.49 66.78 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.063 1.745 . . . . 0.0 111.651 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.0 mtm -122.95 -6.57 8.44 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.597 -172.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m 60.91 85.33 0.12 Allowed 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.083 1.753 . . . . 0.0 110.465 -168.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -123.27 142.06 51.33 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -82.59 -176.57 6.32 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.547 0.612 . . . . 0.0 110.876 -171.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -9.25 57.37 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 119.934 -1.729 . . . . 0.0 112.706 176.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -27.92 69.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.486 0.314 . . . . 0.0 111.047 175.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.5 pt -65.3 -27.95 43.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 121.081 -1.012 . . . . 0.0 111.573 170.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -69.87 -40.09 75.92 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.748 1.219 . . . . 0.0 108.063 -176.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.41 -44.52 92.83 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.164 1.386 . . . . 0.0 110.237 169.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -55.85 24.9 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -60.96 -35.21 76.17 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.157 0.983 . . . . 0.0 111.677 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -63.33 -53.41 53.07 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.571 0.749 . . . . 0.0 109.944 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -69.5 -36.49 76.52 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 115.856 -2.021 . . . . 0.0 110.481 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -24.72 -51.35 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.35 1 C-N-CA 131.899 4.08 . . . . 0.0 114.382 -156.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.441 ' CH2' HG23 ' A' ' 122' ' ' ILE . 50.1 m95 -66.72 26.09 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.499 1.52 . . . . 0.0 113.652 171.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -86.77 146.35 26.28 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-O 122.775 1.274 . . . . 0.0 108.85 -176.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.32 102.93 0.1 Allowed 'General case' 0 N--CA 1.433 -1.307 0 C-N-CA 127.482 2.313 . . . . 0.0 107.43 158.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.58 -16.46 49.69 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 117.937 -1.48 . . . . 0.0 116.784 162.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -52.57 145.55 11.54 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 120.147 1.974 . . . . 0.0 109.961 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' CD ' ' HZ1' ' A' ' 44' ' ' LYS . 3.3 mt-10 -111.11 142.47 43.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 123.431 1.586 . . . . 0.0 113.617 176.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.6 mt -121.89 103.86 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 C-N-CA 128.282 2.633 . . . . 0.0 105.049 -170.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HZ1' ' CD ' ' A' ' 42' ' ' GLU . 38.5 mtmt -130.99 -10.89 3.79 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.327 0.651 . . . . 0.0 111.842 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.17 107.75 1.66 Allowed 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.613 1.565 . . . . 0.0 110.463 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -54.27 -25.39 23.23 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 121.146 -0.971 . . . . 0.0 112.733 173.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.98 -28.47 67.47 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.997 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.5 p -68.24 -41.11 81.67 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.958 1.254 . . . . 0.0 108.152 171.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.7 -51.73 53.1 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.167 1.365 . . . . 0.0 112.172 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -31.02 70.97 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.698 -0.884 . . . . 0.0 112.023 175.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.31 -52.19 66.69 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.22 0.918 . . . . 0.0 109.928 171.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.2 mt -51.15 -50.59 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 125.738 1.615 . . . . 0.0 108.892 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -43.07 91.62 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.231 0.468 . . . . 0.0 111.304 -177.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.2 -45.92 91.22 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.83 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.6 mt -54.86 -52.02 64.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.684 1.129 . . . . 0.0 108.946 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.4 m -50.42 -56.55 10.97 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.895 0.878 . . . . 0.0 111.911 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -44.4 90.81 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.681 1.128 . . . . 0.0 110.766 -177.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -64.6 -8.62 14.88 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.45 1.5 . . . . 0.0 113.314 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.4 mt -112.59 17.59 19.06 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.581 1.552 . . . . 0.0 110.24 175.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.42 HD21 ' ND2' ' A' ' 72' ' ' ASN . 9.2 t30 53.18 49.43 19.96 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 127.712 2.405 . . . . 0.0 111.304 -173.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.0 mtm -110.25 3.57 20.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 117.772 -1.108 . . . . 0.0 113.35 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.0 mt -108.43 112.37 24.75 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 170.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.9 175.96 0.5 Allowed Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 125.941 1.696 . . . . 0.0 110.895 177.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -53.57 -25.44 32.89 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.956 2.437 . . . . 0.0 115.481 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' HB2' HD21 ' A' ' 67' ' ' ASN . 5.1 mm-40 -86.81 -25.41 24.6 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.591 1.087 . . . . 0.0 108.85 -178.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.99 32.03 15.72 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 126.874 2.178 . . . . 0.0 111.327 -169.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.436 HD21 ' HB2' ' A' ' 65' ' ' GLU . 24.6 m-80 -95.26 169.79 9.84 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.057 1.343 . . . . 0.0 107.44 161.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tt -76.21 125.91 30.02 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 121.665 -0.647 . . . . 0.0 109.579 -177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -79.28 91.0 4.97 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.855 0.862 . . . . 0.0 109.813 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -59.57 -36.67 76.67 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -174.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.01 -60.35 8.18 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 174.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.42 ' ND2' HD21 ' A' ' 60' ' ' ASN . 3.8 m120 -58.99 -37.79 77.64 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.098 0.959 . . . . 0.0 111.454 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.25 -54.45 44.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.959 1.304 . . . . 0.0 110.731 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.6 ttm -61.33 -39.47 90.66 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.636 1.175 . . . . 0.0 111.758 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -56.59 -35.71 68.54 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.842 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.97 -36.23 81.72 Favored 'General case' 0 CA--C 1.523 -0.075 0 C-N-CA 123.812 0.845 . . . . 0.0 109.89 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.07 -56.08 17.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.66 9.9 0.58 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.116 1.367 . . . . 0.0 112.94 171.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -93.21 -26.74 17.24 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.375 -1.453 . . . . 0.0 111.098 168.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -105.35 -9.33 17.66 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.283 1.433 . . . . 0.0 112.788 -175.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.53 20.93 33.19 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-O 118.879 -0.956 . . . . 0.0 113.527 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.63 153.27 28.42 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 119.56 1.68 . . . . 0.0 108.194 170.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.63 164.0 25.01 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -74.77 -45.65 42.31 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.207 -0.933 . . . . 0.0 110.062 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.0 m -60.85 -40.16 91.84 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.603 0.638 . . . . 0.0 110.296 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.0 ttt -57.74 -51.35 69.92 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.23 -32.03 72.8 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.547 HE22 ' HB2' ' A' ' 92' ' ' ASP . 5.2 tm0? -59.9 -56.88 16.24 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 172.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -54.56 -44.94 73.37 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 125.267 1.427 . . . . 0.0 111.771 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.59 -13.53 22.63 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 117.555 -1.212 . . . . 0.0 112.618 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -102.17 -42.91 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-O 116.332 -1.794 . . . . 0.0 111.305 165.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.547 ' HB2' HE22 ' A' ' 88' ' ' GLN . 10.5 t70 -53.48 -48.53 68.83 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 121.666 2.03 . . . . 0.0 110.291 -177.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.39 -45.89 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 O-C-N 124.939 1.399 . . . . 0.0 108.323 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 79.5 t -67.81 -55.54 16.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 C-N-CA 125.519 1.528 . . . . 0.0 110.187 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -55.31 -41.4 72.34 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.72 1.208 . . . . 0.0 108.824 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -74.99 7.32 22.35 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 128.634 3.016 . . . . 0.0 113.912 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.6 m -120.93 -30.47 4.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.936 1.695 . . . . 0.0 110.59 165.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.87 -28.41 6.49 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 121.962 2.164 . . . . 0.0 113.975 -176.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.1 -47.93 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 m -51.76 -39.07 57.9 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 127.604 2.362 . . . . 0.0 114.295 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.4 m -74.17 114.78 36.5 Favored Pre-proline 0 N--CA 1.445 -0.701 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.13 129.06 16.58 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.071 1.847 . . . . 0.0 108.124 174.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -156.27 164.53 38.21 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.334 1.454 . . . . 0.0 108.786 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -64.23 179.85 0.52 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.745 1.618 . . . . 0.0 113.344 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.85 -38.54 2.2 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 128.143 2.577 . . . . 0.0 112.576 147.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -66.82 90.24 0.17 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 124.401 1.08 . . . . 0.0 109.925 -167.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.464 ' HD3' ' CE3' ' A' ' 110' ' ' TRP . 9.5 mmtp -56.69 -20.73 23.21 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.525 -1.359 . . . . 0.0 112.844 -173.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 59.0 m -61.36 -56.04 24.77 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.87 0.759 . . . . 0.0 110.53 167.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.7 mm -56.17 -51.48 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.175 1.39 . . . . 0.0 108.576 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.464 ' CE3' ' HD3' ' A' ' 107' ' ' LYS . 33.0 t90 -52.43 -56.26 16.24 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 125.762 1.625 . . . . 0.0 111.598 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.7 m -66.05 -34.88 79.09 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.811 0.732 . . . . 0.0 111.595 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.27 -52.92 49.99 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 167.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.93 -38.89 93.16 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-O 118.333 -1.26 . . . . 0.0 113.23 -171.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.08 -42.9 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 124.61 1.164 . . . . 0.0 108.758 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.11 79.3 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.925 175.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 56.0 m -64.63 -46.17 83.68 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 121.11 1.777 . . . . 0.0 112.676 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.8 p -63.32 -52.18 62.93 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 118.638 0.654 . . . . 0.0 109.586 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -50.34 -49.51 53.75 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.776 1.23 . . . . 0.0 110.991 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -51.12 -52.85 39.87 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.168 0.987 . . . . 0.0 110.954 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.68 -41.05 55.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.191 0.45 . . . . 0.0 111.213 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.1 -41.18 95.21 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 117.867 -1.063 . . . . 0.0 110.946 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.441 HG23 ' CH2' ' A' ' 37' ' ' TRP . 11.9 mm -59.01 -45.95 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 120.316 1.416 . . . . 0.0 109.573 177.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -59.35 -49.54 77.43 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 119.106 -0.473 . . . . 0.0 110.921 174.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -55.32 -44.55 75.95 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.553 1.07 . . . . 0.0 110.874 174.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 27.7 mt -64.96 -7.67 12.59 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 126.893 2.077 . . . . 0.0 112.009 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.5 t30 56.09 37.75 29.17 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.94 1.696 . . . . 0.0 111.045 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -92.89 13.53 20.22 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.728 2.411 . . . . 0.0 112.177 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.321 0 C-N-CA 131.452 3.901 . . . . 0.0 108.006 -158.478 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.91 -39.74 82.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 120.116 1.325 . . . . 0.0 112.259 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -52.96 -47.83 67.83 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.788 1.235 . . . . 0.0 110.077 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.33 -53.42 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 124.522 1.129 . . . . 0.0 109.334 174.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.3 tpt -56.56 -37.2 70.22 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 119.839 -1.788 . . . . 0.0 111.389 -173.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -36.77 72.31 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.357 175.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -57.62 -36.87 72.38 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.422 1.089 . . . . 0.0 112.032 169.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.9 mp -64.19 -49.3 72.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -31.58 70.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.49 1.116 . . . . 0.0 111.055 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 tp -67.24 -37.2 83.16 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.873 1.269 . . . . 0.0 109.068 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -95.29 -28.36 15.03 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.011 -170.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.44 -52.39 65.41 Favored 'General case' 0 N--CA 1.442 -0.846 0 O-C-N 121.807 -0.558 . . . . 0.0 109.547 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.48 21.49 17.53 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 117.542 -1.699 . . . . 0.0 114.469 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -49.0 -51.66 29.38 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 121.134 2.467 . . . . 0.0 110.494 173.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.33 16.43 2.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.977 1.311 . . . . 0.0 112.855 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -56.25 13.86 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 119.952 1.251 . . . . 0.0 110.373 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -25.64 59.45 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 118.95 -1.1 . . . . 0.0 109.889 -169.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.82 -59.29 5.36 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 172.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.68 -23.08 39.4 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.547 1.539 . . . . 0.0 112.814 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -66.6 -60.08 3.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 121.208 -0.932 . . . . 0.0 109.897 168.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -64.27 -32.81 74.55 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.311 0.959 . . . . 0.0 111.553 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.11 -30.4 59.64 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 124.897 1.279 . . . . 0.0 113.688 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.7 mtm -126.96 1.42 6.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.476 1.11 . . . . 0.0 113.103 -170.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.4 m 43.18 83.97 0.02 OUTLIER 'General case' 0 C--O 1.242 0.671 0 C-N-CA 125.733 1.613 . . . . 0.0 111.414 -157.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.4 mt -112.7 151.91 29.67 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.176 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.7 p -81.08 173.91 12.11 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.593 1.557 . . . . 0.0 111.645 -168.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -92.17 -6.28 50.99 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.38 -1.45 . . . . 0.0 111.315 172.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.69 -26.55 65.67 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.759 0.824 . . . . 0.0 111.513 165.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pt -75.83 -32.48 23.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 CA-C-N 119.01 0.823 . . . . 0.0 110.741 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -35.82 63.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.238 166.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.72 -11.69 60.23 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 174.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -78.6 -72.13 0.39 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.771 1.229 . . . . 0.0 108.007 162.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -44.44 -44.19 8.27 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.029 1.732 . . . . 0.0 112.555 -173.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -58.05 -54.41 47.24 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.123 1.769 . . . . 0.0 112.337 175.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -94.21 8.67 40.89 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.993 2.117 . . . . 0.0 112.135 -172.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -54.06 -29.4 43.96 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.208 1.403 . . . . 0.0 112.105 -173.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -106.2 24.85 11.8 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.173 2.189 . . . . 0.0 114.455 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -65.98 162.47 19.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 120.502 -1.374 . . . . 0.0 110.467 168.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.2 24.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.984 2.514 . . . . 0.0 116.946 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 169.01 15.17 0.02 OUTLIER Glycine 0 N--CA 1.464 0.516 0 O-C-N 121.01 -1.056 . . . . 0.0 113.612 173.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -71.35 126.83 30.67 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 117.301 0.55 . . . . 0.0 111.891 -170.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -101.11 158.04 16.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.139 0.976 . . . . 0.0 112.633 163.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.4 mt -129.12 110.47 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 129.037 2.935 . . . . 0.0 105.872 -157.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -122.89 -18.36 6.49 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -171.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -78.38 110.75 13.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 120.402 1.455 . . . . 0.0 109.507 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -21.79 47.95 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 120.452 -1.405 . . . . 0.0 112.121 169.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -57.43 -33.07 67.53 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.023 172.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.2 p -70.96 -42.0 70.32 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 120.459 1.481 . . . . 0.0 109.08 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.8 -50.23 32.5 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.267 1.413 . . . . 0.0 111.282 171.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -30.62 67.07 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 118.123 -0.941 . . . . 0.0 113.396 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.58 -52.73 64.21 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 120.329 1.422 . . . . 0.0 108.753 167.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.8 mt -50.02 -45.36 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-N 119.624 1.102 . . . . 0.0 109.936 -176.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.1 ttp -61.63 -48.79 79.28 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.729 0.695 . . . . 0.0 111.639 174.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.9 t -56.01 -57.21 13.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.446 1.098 . . . . 0.0 112.167 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -49.58 -46.73 49.39 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.181 1.392 . . . . 0.0 111.817 172.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.1 m -53.11 -53.34 51.85 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.008 0.822 . . . . 0.0 111.222 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -50.1 -52.66 33.06 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.178 0.899 . . . . 0.0 110.771 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -63.93 -14.62 55.08 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -171.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -104.39 10.03 35.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 119.232 0.923 . . . . 0.0 111.583 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t30 58.47 36.36 25.27 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.922 1.689 . . . . 0.0 110.338 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 34.3 mtp -89.33 -6.44 56.69 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.789 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 mt -103.72 142.43 34.36 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 171.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -83.58 -177.98 1.08 Allowed Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 126.137 1.775 . . . . 0.0 110.698 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -83.62 41.87 1.14 Allowed 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 121.28 1.32 . . . . 0.0 111.247 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -150.67 -31.93 0.18 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.303 2.241 . . . . 0.0 108.919 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.68 -0.99 8.0 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 126.469 1.985 . . . . 0.0 113.117 173.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -77.09 165.43 24.6 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.204 1.502 . . . . 0.0 109.428 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.0 tp -57.87 123.5 15.99 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 166.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -84.51 92.74 8.17 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.739 1.216 . . . . 0.0 109.658 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -50.42 -34.59 25.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -172.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.17 -72.25 0.67 Allowed Glycine 0 C--N 1.339 0.7 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -45.82 -41.69 11.35 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.077 1.351 . . . . 0.0 113.711 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.15 -50.37 61.88 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.454 0.702 . . . . 0.0 110.738 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 16.5 ttm -74.5 -30.82 61.96 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.925 1.29 . . . . 0.0 112.166 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -58.12 -52.16 66.7 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 173.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -49.17 -46.48 45.48 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 126.747 2.019 . . . . 0.0 109.136 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.25 -65.15 0.73 Allowed 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 122.757 0.423 . . . . 0.0 110.427 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -56.44 -38.24 71.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.212 1.005 . . . . 0.0 109.736 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -53.71 -57.85 9.32 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 127.0 2.12 . . . . 0.0 111.789 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -74.35 -3.56 31.09 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.681 -0.676 . . . . 0.0 112.153 -171.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.06 4.62 12.31 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 127.025 2.25 . . . . 0.0 113.229 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.9 156.55 34.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 119.58 1.69 . . . . 0.0 112.056 -167.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.77 162.41 18.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 113.32 -1.764 . . . . 0.0 108.137 -176.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.4 -59.24 5.57 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.238 1.815 . . . . 0.0 111.268 -175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.4 m -69.55 -30.97 68.9 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.691 -0.631 . . . . 0.0 110.489 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.1 ttt -55.7 -59.49 4.78 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 170.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.17 73.56 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.085 -174.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -62.7 -46.9 85.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.872 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -49.62 -60.29 3.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.343 174.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -50.94 -47.09 61.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 120.026 1.285 . . . . 0.0 112.998 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.19 -39.11 80.68 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 118.744 -1.182 . . . . 0.0 109.713 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -60.31 -43.75 96.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 120.345 1.429 . . . . 0.0 110.693 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.3 mt -70.61 -47.58 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 118.625 0.648 . . . . 0.0 109.74 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.7 t -59.85 -60.79 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -56.53 -33.7 66.32 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.401 1.08 . . . . 0.0 109.357 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.42 -67.65 2.02 Favored Glycine 0 C--N 1.338 0.689 0 C-N-CA 126.353 1.93 . . . . 0.0 111.375 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.8 m -48.88 -36.16 16.42 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.024 1.729 . . . . 0.0 110.376 175.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.58 -13.0 2.05 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 121.643 2.02 . . . . 0.0 113.424 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.93 -43.04 2.36 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.293 1.406 . . . . 0.0 111.711 166.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 m -53.25 -38.25 62.82 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.958 1.303 . . . . 0.0 112.29 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -75.11 120.4 81.45 Favored Pre-proline 0 N--CA 1.447 -0.578 0 CA-C-N 118.577 0.626 . . . . 0.0 109.477 174.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -81.17 145.75 15.48 Favored 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 122.957 2.438 . . . . 0.0 108.879 170.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.07 164.3 38.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.755 0.822 . . . . 0.0 109.113 168.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.9 169.92 1.74 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.729 151.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -57.65 -9.32 1.13 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.232 2.213 . . . . 0.0 113.343 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.59 94.98 0.07 Allowed 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.957 -1.089 . . . . 0.0 108.155 173.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.542 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -54.75 -29.84 54.88 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.998 -1.064 . . . . 0.0 110.955 178.274 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.47 -57.02 13.83 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.18 -50.37 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.931 1.292 . . . . 0.0 109.188 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.542 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 35.9 t90 -51.5 -61.47 2.22 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 125.687 1.595 . . . . 0.0 111.083 178.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 m -62.58 -34.47 77.04 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.154 0.582 . . . . 0.0 111.503 -175.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.89 -51.92 67.63 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.209 1.404 . . . . 0.0 109.351 169.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.36 -41.3 98.41 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.08 -0.844 . . . . 0.0 111.25 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.32 -51.42 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 124.094 0.958 . . . . 0.0 108.836 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.93 -31.24 71.55 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 118.813 -0.613 . . . . 0.0 111.406 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.4 m -68.88 -48.5 63.24 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.499 1.045 . . . . 0.0 111.378 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.9 p -67.33 -42.46 83.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.878 0.763 . . . . 0.0 110.515 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -58.41 -55.44 34.94 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.825 1.25 . . . . 0.0 110.729 176.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -43.15 -58.74 2.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.579 1.551 . . . . 0.0 109.634 175.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.53 -21.91 29.43 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -175.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -44.99 38.6 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.168 1.387 . . . . 0.0 109.518 178.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 26.1 mm -59.02 -37.38 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 125.98 1.712 . . . . 0.0 108.08 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -59.6 -50.83 72.35 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.8 1.24 . . . . 0.0 112.64 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -48.83 -54.97 13.02 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 121.154 1.797 . . . . 0.0 110.826 172.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.91 -3.05 14.23 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.692 1.197 . . . . 0.0 113.397 -176.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.0 t30 56.95 22.81 7.57 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.877 2.071 . . . . 0.0 112.868 -178.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 50.8 m0 -73.25 12.0 0.65 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.161 1.385 . . . . 0.0 111.882 172.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.582 1.953 . . . . 0.0 107.052 176.229 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -66.18 -34.5 78.16 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-O 117.682 -1.151 . . . . 0.0 112.411 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -49.4 -50.35 40.79 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.001 1.381 . . . . 0.0 109.807 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.28 -39.02 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.533 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -46.42 74.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.926 0.89 . . . . 0.0 109.986 176.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -60.96 -46.3 91.25 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 117.706 -1.14 . . . . 0.0 110.966 175.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -66.27 -33.81 76.59 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.684 1.129 . . . . 0.0 112.607 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.82 -52.94 62.13 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 173.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -65.34 -0.35 1.8 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.167 1.387 . . . . 0.0 112.718 175.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 tp -101.27 -57.54 2.07 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.776 1.23 . . . . 0.0 109.037 174.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -63.94 -27.79 69.38 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.341 1.456 . . . . 0.0 112.294 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -57.56 -52.94 63.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 168.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.97 27.12 2.71 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.649 1.595 . . . . 0.0 114.201 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -67.02 -65.27 0.7 Allowed 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 119.637 1.719 . . . . 0.0 110.452 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.61 44.92 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.14 0.976 . . . . 0.0 110.939 -175.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -69.53 -55.57 9.81 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.042 -1.037 . . . . 0.0 110.06 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -68.54 -26.67 65.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.196 0.907 . . . . 0.0 111.114 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.96 -72.34 0.07 Allowed 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 124.441 1.096 . . . . 0.0 108.283 164.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.3 m -55.63 -26.84 46.44 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.806 1.242 . . . . 0.0 113.882 -177.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -62.95 -49.44 74.73 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.865 1.266 . . . . 0.0 109.922 170.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -72.63 -34.2 67.17 Favored 'General case' 0 N--CA 1.424 -1.734 0 C-N-CA 125.813 1.645 . . . . 0.0 109.93 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.41 -43.58 92.98 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 120.809 1.64 . . . . 0.0 110.531 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.8 mtm -121.17 7.18 10.24 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -167.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m 47.52 77.66 0.09 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.99 1.716 . . . . 0.0 110.309 -171.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.5 mt -114.9 140.15 49.21 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 106.201 -1.777 . . . . 0.0 106.201 176.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.1 p -82.21 -177.19 6.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.22 1.01 . . . . 0.0 110.939 -161.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -19.76 61.25 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 118.186 -0.911 . . . . 0.0 112.503 171.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.25 -24.74 67.77 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.046 1.294 . . . . 0.0 112.079 -171.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.0 pt -68.25 -24.52 29.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-O 118.335 -0.841 . . . . 0.0 111.455 174.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -66.9 -27.65 67.67 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 120.314 1.416 . . . . 0.0 108.634 172.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.0 -40.36 62.99 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 120.61 1.55 . . . . 0.0 109.964 171.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -65.81 -42.53 90.53 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 118.85 0.75 . . . . 0.0 110.105 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.96 -32.36 61.7 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.193 1.397 . . . . 0.0 112.67 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -62.44 1.54 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 170.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -70.39 -3.39 17.28 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 116.373 -1.775 . . . . 0.0 112.159 -176.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -43.62 -61.93 1.25 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 121.698 2.044 . . . . 0.0 110.518 -170.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.434 ' CH2' HG23 ' A' ' 122' ' ' ILE . 49.6 m95 -72.52 17.06 0.12 Allowed 'General case' 0 C--O 1.239 0.545 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -56.49 161.56 2.6 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 120.821 1.646 . . . . 0.0 109.111 167.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -58.87 111.67 1.37 Allowed 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 113.197 -1.82 . . . . 0.0 107.549 152.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.4 -6.96 62.39 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-O 117.254 -1.859 . . . . 0.0 117.077 159.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -50.41 132.12 24.75 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 120.77 2.285 . . . . 0.0 112.917 -171.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -102.49 141.17 35.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-O 122.729 1.252 . . . . 0.0 111.697 170.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.8 mt -113.24 120.17 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 -172.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.32 -16.54 7.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 118.887 -0.578 . . . . 0.0 111.802 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -59.95 105.15 0.36 Allowed 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -53.64 -25.52 18.19 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 123.239 0.616 . . . . 0.0 111.232 164.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.12 -32.83 68.49 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.32 1.048 . . . . 0.0 110.379 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.6 p -67.0 -46.76 73.55 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.16 -55.34 16.0 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 125.18 1.372 . . . . 0.0 110.662 174.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -40.69 93.24 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 122.13 -0.63 . . . . 0.0 111.951 177.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.86 -57.19 14.15 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.073 0.851 . . . . 0.0 109.699 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.0 mt -48.41 -45.73 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 126.889 2.076 . . . . 0.0 109.816 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 41.5 ttp -57.72 -53.94 52.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.423 0.689 . . . . 0.0 110.147 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.1 t -60.52 -38.84 85.69 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.196 0.599 . . . . 0.0 111.821 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.44 -52.24 66.06 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 176.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.83 -48.53 50.89 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.993 1.317 . . . . 0.0 109.901 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 m -51.86 -56.17 15.67 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 177.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -67.4 -16.75 64.41 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.292 1.437 . . . . 0.0 114.059 -170.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.37 6.64 19.27 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 120.55 1.523 . . . . 0.0 111.476 169.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.553 ' HB3' HD21 ' A' ' 72' ' ' ASN . 2.3 t30 63.08 24.21 14.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.865 2.066 . . . . 0.0 111.356 -170.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 56.2 mtm -80.96 -5.29 57.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.947 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 mp -112.48 121.77 45.79 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -175.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -56.62 175.68 0.23 Allowed Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 128.85 2.86 . . . . 0.0 111.897 -179.193 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.81 43.61 1.39 Allowed 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 124.018 3.145 . . . . 0.0 110.876 178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 63' ' ' ASP . 7.1 mm-40 -152.35 -54.76 0.13 Allowed 'General case' 0 N--CA 1.45 -0.463 1 C-N-CA 131.729 4.012 . . . . 0.0 106.832 -170.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.53 0.27 11.16 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 125.546 1.546 . . . . 0.0 112.929 -168.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -69.14 161.2 29.62 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.796 1.798 . . . . 0.0 110.72 173.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -70.77 109.29 4.88 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 175.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -78.59 96.15 5.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.168 1.387 . . . . 0.0 108.991 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -44.95 -54.17 6.83 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 126.63 1.972 . . . . 0.0 112.155 -177.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.89 -64.21 4.33 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 123.706 0.669 . . . . 0.0 111.851 -176.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.553 HD21 ' HB3' ' A' ' 60' ' ' ASN . 4.5 m-20 -63.96 -36.45 83.99 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 123.235 0.614 . . . . 0.0 112.365 -176.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.63 -47.16 77.08 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.163 0.585 . . . . 0.0 111.133 171.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ttm -69.43 -40.53 77.18 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.261 0.482 . . . . 0.0 111.289 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.83 -45.57 89.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 118.163 0.438 . . . . 0.0 109.864 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -53.36 -46.12 69.43 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.471 0.708 . . . . 0.0 110.305 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.09 -63.18 1.4 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.263 0.625 . . . . 0.0 111.094 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -55.46 -45.2 76.9 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 123.526 0.73 . . . . 0.0 110.214 -172.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -45.84 -49.06 15.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.77 1.628 . . . . 0.0 111.972 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -70.76 -11.77 61.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.631 -175.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.48 6.1 20.16 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.167 1.365 . . . . 0.0 112.2 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.95 152.22 46.15 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 119.068 1.434 . . . . 0.0 110.354 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.64 159.38 33.55 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 125.002 1.321 . . . . 0.0 109.346 170.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -59.85 -50.8 72.38 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 124.888 1.275 . . . . 0.0 111.572 169.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.5 m -61.46 -47.08 87.31 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.9 ttp -54.7 -55.2 32.38 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.74 70.39 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.852 -1.155 . . . . 0.0 112.577 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -54.33 31.24 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 117.938 -1.03 . . . . 0.0 108.613 172.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -48.66 -55.96 9.85 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.702 1.601 . . . . 0.0 110.989 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 mp -46.17 -54.35 8.84 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.05 1.34 . . . . 0.0 111.27 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.09 -37.57 72.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.43 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.22 -33.97 77.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 120.766 1.621 . . . . 0.0 111.67 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.8 mt -81.02 -52.53 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 C-N-CA 124.782 1.233 . . . . 0.0 109.006 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.0 t -56.72 -55.7 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 119.246 0.93 . . . . 0.0 108.558 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -59.28 -36.21 75.16 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.034 -1.041 . . . . 0.0 110.498 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.36 22.48 7.28 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 128.596 2.998 . . . . 0.0 113.578 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.7 m -130.17 -50.07 1.1 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 128.017 2.527 . . . . 0.0 105.927 168.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.64 -30.01 0.34 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 121.367 1.894 . . . . 0.0 115.023 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.36 -26.66 4.22 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.683 1.129 . . . . 0.0 112.818 171.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -35.37 79.97 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.177 0.898 . . . . 0.0 111.0 -178.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 m -63.95 122.82 79.45 Favored Pre-proline 0 N--CA 1.44 -0.97 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 173.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.72 145.45 32.63 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.91 1.74 . . . . 0.0 108.274 163.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -158.05 173.09 17.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 122.881 0.473 . . . . 0.0 110.398 177.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.419 ' CB ' ' H ' ' A' ' 106' ' ' ASP . 33.0 m-20 -63.66 173.94 1.54 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 162.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -69.64 -5.8 27.1 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.95 0.9 . . . . 0.0 112.587 158.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.419 ' H ' ' CB ' ' A' ' 104' ' ' ASN . 58.5 t0 -64.82 100.26 0.39 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 167.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -33.55 9.47 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.837 1.655 . . . . 0.0 113.193 173.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 39.5 m -66.34 -46.55 76.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.003 0.82 . . . . 0.0 110.151 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.1 mm -63.9 -47.78 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.2 1.0 . . . . 0.0 108.559 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 34.3 t90 -48.56 -65.87 0.5 Allowed 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 125.904 1.681 . . . . 0.0 111.628 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 92.3 m -63.66 -23.93 67.58 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 118.846 -1.142 . . . . 0.0 111.617 -175.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -56.81 17.25 Favored 'General case' 0 C--N 1.343 0.314 0 O-C-N 120.774 -1.204 . . . . 0.0 109.843 171.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.61 96.39 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-O 119.279 -0.734 . . . . 0.0 111.417 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 38.0 t -56.72 -55.99 16.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 124.739 1.216 . . . . 0.0 107.965 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.94 -32.55 73.06 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 121.348 -0.845 . . . . 0.0 111.418 -177.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.4 m -74.0 -14.12 60.97 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.834 1.197 . . . . 0.0 112.209 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.6 p -83.87 -44.92 13.8 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.758 1.617 . . . . 0.0 110.919 161.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -58.16 -14.85 7.8 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 171.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -73.77 -63.01 1.3 Allowed 'General case' 0 C--O 1.224 -0.248 0 O-C-N 118.75 -2.469 . . . . 0.0 108.382 170.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.45 -43.95 68.5 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 124.555 1.142 . . . . 0.0 112.194 -166.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -41.88 66.86 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.084 1.354 . . . . 0.0 112.242 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.434 HG23 ' CH2' ' A' ' 37' ' ' TRP . 27.5 mm -64.13 -47.11 91.53 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -175.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -57.5 -43.27 84.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.07 0.548 . . . . 0.0 111.678 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.02 -49.5 77.66 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 120.036 1.289 . . . . 0.0 111.614 172.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.42 -2.95 2.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.653 1.181 . . . . 0.0 112.369 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 65.5 t30 51.89 36.22 17.67 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 126.562 1.945 . . . . 0.0 111.372 -174.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -87.65 2.45 50.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.722 1.609 . . . . 0.0 113.524 -170.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-N 119.598 1.09 . . . . 0.0 111.709 171.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 120.47 0.176 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -56.72 -38.03 71.77 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.471 1.108 . . . . 0.0 111.965 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -52.22 -49.92 63.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.683 1.193 . . . . 0.0 112.198 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -73.3 -50.17 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.7 tpt -47.68 -52.36 18.53 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 125.789 1.636 . . . . 0.0 112.256 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.31 -55.85 18.74 Favored 'General case' 0 C--O 1.231 0.093 0 C-N-CA 125.635 1.574 . . . . 0.0 109.68 174.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -64.54 -34.72 78.9 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -175.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.59 -58.83 6.84 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.43 16.23 0.11 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.078 1.751 . . . . 0.0 112.816 -178.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 tt -119.54 -55.23 2.13 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 127.445 2.298 . . . . 0.0 107.59 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -53.7 -46.4 70.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 125.547 1.539 . . . . 0.0 110.82 171.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -46.7 -41.75 15.53 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.721 1.208 . . . . 0.0 111.413 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.16 10.4 73.2 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 118.08 -1.4 . . . . 0.0 114.986 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -63.78 1.18 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.265 2.033 . . . . 0.0 111.263 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.49 27.05 0.16 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.968 1.307 . . . . 0.0 112.182 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.9 tp -57.46 -56.69 18.61 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 124.65 1.18 . . . . 0.0 109.646 175.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.55 -32.89 74.48 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.634 0.774 . . . . 0.0 111.912 -171.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -59.46 -64.53 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.198 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -53.15 -34.66 57.8 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.474 1.11 . . . . 0.0 112.838 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -56.1 -61.43 2.39 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.824 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -34.76 78.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.599 1.09 . . . . 0.0 110.898 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.58 -33.9 70.48 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.3 0.954 . . . . 0.0 112.823 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.0 mtm -118.28 3.26 11.96 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.825 0.85 . . . . 0.0 112.52 -174.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.0 m 49.85 70.04 0.54 Allowed 'General case' 0 C--O 1.24 0.553 0 C-N-CA 125.259 1.424 . . . . 0.0 111.155 -166.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 mt -106.15 164.19 12.19 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 169.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -106.46 177.96 4.7 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.26 -154.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -11.18 45.34 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 121.181 -0.95 . . . . 0.0 112.874 170.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.25 -25.86 67.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.301 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 pt -64.62 -30.2 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 118.504 0.593 . . . . 0.0 111.238 172.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.67 -36.31 82.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -40.99 96.1 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.607 0.763 . . . . 0.0 110.778 173.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -55.62 32.0 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -61.24 -40.19 93.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.849 0.859 . . . . 0.0 111.477 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -62.34 -38.87 91.15 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.18 1.392 . . . . 0.0 112.031 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -98.07 13.45 30.96 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.059 1.344 . . . . 0.0 111.188 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.65 -29.51 70.08 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 119.557 -1.964 . . . . 0.0 111.577 -171.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -102.9 33.88 3.07 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 125.31 1.444 . . . . 0.0 112.58 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -70.23 -171.5 0.46 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.262 1.825 . . . . 0.0 111.66 170.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.77 24.79 10.07 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.575 1.95 . . . . 0.0 114.649 -171.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.77 20.4 0.03 OUTLIER Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.298 1.427 . . . . 0.0 112.78 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -65.53 161.5 20.03 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.431 1.092 . . . . 0.0 109.896 172.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' OE1' ' HE2' ' A' ' 44' ' ' LYS . 36.8 tt0 -141.02 144.93 35.29 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 126.669 1.988 . . . . 0.0 108.836 170.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.7 mt -113.3 114.02 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 129.355 3.062 . . . . 0.0 105.455 -174.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HE2' ' OE1' ' A' ' 42' ' ' GLU . 51.0 mtmt -138.19 0.05 2.09 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -72.87 122.98 22.5 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 120.871 1.669 . . . . 0.0 109.12 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -54.75 -30.79 57.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.499 -0.751 . . . . 0.0 111.009 168.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.09 -33.73 76.07 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 118.78 -0.628 . . . . 0.0 109.872 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.1 p -71.89 -38.99 69.9 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.088 0.858 . . . . 0.0 109.489 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -54.67 -50.16 58.67 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.21 0.909 . . . . 0.0 112.554 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -32.85 72.73 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 117.305 0.553 . . . . 0.0 111.963 176.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.11 -52.7 64.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 118.958 0.799 . . . . 0.0 109.803 174.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.0 mt -52.53 -49.57 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.836 1.655 . . . . 0.0 109.088 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.6 ttp -62.06 -43.14 99.49 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.891 0.769 . . . . 0.0 112.532 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 23.0 t -65.54 -38.14 88.75 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.64 -0.662 . . . . 0.0 110.632 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.0 mt -57.49 -53.64 55.85 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 170.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.76 -42.4 35.45 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.38 0.991 . . . . 0.0 112.269 178.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.1 m -56.39 -63.93 1.03 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -63.18 -18.18 63.21 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 126.589 1.956 . . . . 0.0 112.942 -171.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.2 mt -84.95 7.88 19.63 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.609 1.164 . . . . 0.0 111.181 175.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.1 t30 54.55 34.89 22.22 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.092 1.757 . . . . 0.0 110.709 -172.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.8 mtm -95.5 -0.88 51.71 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.632 -0.667 . . . . 0.0 111.729 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp -109.55 110.19 21.2 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -176.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -60.11 174.52 0.47 Allowed Pre-proline 0 C--O 1.238 0.498 0 C-N-CA 127.205 2.202 . . . . 0.0 110.673 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -81.05 40.94 1.06 Allowed 'Trans proline' 0 N--CA 1.458 -0.603 0 CA-C-N 120.542 1.229 . . . . 0.0 110.762 -173.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -146.56 -25.57 0.42 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 128.267 2.627 . . . . 0.0 108.398 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.8 12.48 34.69 Favored Glycine 0 C--N 1.343 0.941 0 C-N-CA 125.885 1.707 . . . . 0.0 113.772 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -136.97 64.08 1.55 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.472 1.636 . . . . 0.0 110.123 -161.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp 60.75 140.27 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 129.8 3.24 . . . . 0.0 113.473 -177.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -116.01 93.37 4.22 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 126.048 1.739 . . . . 0.0 108.229 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -47.2 -41.13 17.6 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.79 0.836 . . . . 0.0 113.048 -172.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -48.79 -76.34 0.16 Allowed Glycine 0 C--N 1.341 0.808 0 C-N-CA 124.49 1.043 . . . . 0.0 111.794 170.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -57.26 -32.77 66.92 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.008 1.404 . . . . 0.0 113.695 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.85 -55.91 26.94 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.946 1.248 . . . . 0.0 111.044 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.3 ttm -65.65 -39.23 91.18 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.299 1.039 . . . . 0.0 109.645 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.03 -56.93 14.83 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.871 1.668 . . . . 0.0 109.761 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.07 -48.35 44.2 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.114 0.966 . . . . 0.0 109.312 -175.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.77 -68.5 0.18 Allowed 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 123.772 0.829 . . . . 0.0 109.887 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -67.38 -16.75 64.42 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.159 1.383 . . . . 0.0 113.568 -170.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -66.77 -58.34 5.27 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 128.472 2.709 . . . . 0.0 109.804 167.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -73.06 -14.63 61.44 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 117.439 -1.267 . . . . 0.0 113.31 -170.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 134.19 5.51 2.67 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.782 1.182 . . . . 0.0 113.619 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.12 147.96 31.17 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 119.054 1.427 . . . . 0.0 111.27 -167.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.31 165.32 23.96 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 113.956 -1.474 . . . . 0.0 109.858 173.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -51.05 28.2 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.04 0.536 . . . . 0.0 110.85 -177.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.7 m -60.52 -41.75 95.02 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.547 0.612 . . . . 0.0 110.086 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.4 ttt -59.07 -44.96 91.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.699 0.8 . . . . 0.0 109.923 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.35 -37.31 83.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.284 -0.865 . . . . 0.0 111.561 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -55.55 33.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -51.95 -46.41 64.75 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.646 1.578 . . . . 0.0 111.321 175.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.53 -16.81 27.34 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 117.64 -1.171 . . . . 0.0 113.322 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -107.41 -35.99 3.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 117.548 -1.215 . . . . 0.0 111.092 172.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.22 -34.7 78.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 121.174 1.806 . . . . 0.0 111.421 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.79 -48.37 51.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.5 t -62.59 -66.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.932 1.293 . . . . 0.0 110.076 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -57.16 -27.26 61.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.735 1.614 . . . . 0.0 110.693 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.39 -62.61 4.72 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 173.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.8 m -58.9 -31.42 68.6 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.854 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -55.01 -12.25 0.81 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.16 1.345 . . . . 0.0 113.509 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -121.25 -47.35 2.26 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.367 1.867 . . . . 0.0 109.689 173.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 m -60.48 -47.99 83.73 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.006 1.722 . . . . 0.0 113.771 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.1 m -62.37 126.77 88.7 Favored Pre-proline 0 C--O 1.238 0.455 0 C-N-CA 124.197 0.999 . . . . 0.0 110.044 -172.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.9 129.33 14.19 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 122.478 2.119 . . . . 0.0 108.391 167.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.98 -177.24 5.12 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.994 1.718 . . . . 0.0 107.672 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.293 0.7 OUTLIER -109.12 171.7 7.28 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 163.268 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -52.81 -14.16 0.51 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.948 1.699 . . . . 0.0 113.504 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -68.04 94.26 0.48 Allowed 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.558 1.543 . . . . 0.0 110.291 172.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.42 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 5.7 mmpt? -54.66 -23.83 19.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.501 0.72 . . . . 0.0 112.705 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 62.7 m -59.24 -56.64 19.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.738 0.699 . . . . 0.0 110.081 169.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -41.22 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 124.583 1.153 . . . . 0.0 109.744 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.42 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 33.4 t90 -50.47 -62.07 1.81 Allowed 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 124.409 1.083 . . . . 0.0 111.088 172.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.9 m -63.26 -32.14 73.47 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.127 0.421 . . . . 0.0 111.742 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.43 -48.15 72.02 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.05 -1.031 . . . . 0.0 109.959 167.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.47 -46.23 86.43 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.085 -0.842 . . . . 0.0 111.544 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.53 -47.85 90.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.173 0.989 . . . . 0.0 109.73 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.29 -32.81 74.65 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.793 -1.192 . . . . 0.0 111.181 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.7 m -71.8 -45.54 61.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.394 -0.812 . . . . 0.0 112.117 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 21.4 p -62.0 -42.62 99.35 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.117 1.326 . . . . 0.0 109.0 176.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -58.25 -47.9 82.12 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.6 1.16 . . . . 0.0 111.063 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -49.33 -50.79 38.09 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.99 0.916 . . . . 0.0 111.259 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.53 -38.39 59.61 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.22 0.464 . . . . 0.0 112.148 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -62.45 -42.55 99.54 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 118.911 0.778 . . . . 0.0 110.123 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.6 mm -59.11 -37.25 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.476 1.51 . . . . 0.0 109.722 -177.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -62.93 -52.87 61.39 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.163 0.585 . . . . 0.0 110.363 172.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -45.78 88.88 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.044 -1.035 . . . . 0.0 112.208 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.22 -10.36 15.22 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.377 1.871 . . . . 0.0 112.083 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.3 t30 62.2 34.98 15.78 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.386 1.474 . . . . 0.0 111.167 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -89.18 19.19 4.43 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.402 1.881 . . . . 0.0 112.383 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 C-N-CA 124.939 1.295 . . . . 0.0 110.174 171.749 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 119.76 -0.162 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -52.66 -28.77 22.98 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.059 1.744 . . . . 0.0 114.399 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -48.83 -69.8 0.11 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.094 1.358 . . . . 0.0 109.074 172.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.8 p -65.97 -37.16 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 C-N-CA 123.906 0.882 . . . . 0.0 111.967 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -46.32 70.65 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.442 0.297 . . . . 0.0 110.682 -176.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -60.96 -48.92 79.57 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 121.35 -0.844 . . . . 0.0 110.772 173.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -62.66 -34.69 77.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -173.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.23 -56.03 27.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.282 1.433 . . . . 0.0 108.791 170.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 m -58.87 -32.0 69.07 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.0 tp -70.21 -49.92 45.33 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.489 1.516 . . . . 0.0 108.504 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -75.91 -29.56 58.46 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 114.173 -1.376 . . . . 0.0 111.52 -174.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -56.73 -53.2 60.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 165.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.21 -1.68 7.79 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-O 118.433 -1.204 . . . . 0.0 115.255 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -57.49 -34.49 69.11 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 121.042 2.421 . . . . 0.0 112.642 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.42 10.42 41.42 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.55 -55.26 31.12 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 125.368 1.467 . . . . 0.0 108.203 -178.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -72.48 -30.24 64.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.051 -167.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.15 -60.52 3.62 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 m -54.28 -40.41 67.81 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.099 0.959 . . . . 0.0 109.409 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -53.4 -60.26 3.53 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 125.03 1.332 . . . . 0.0 109.206 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -69.65 -33.92 73.28 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 118.883 -1.127 . . . . 0.0 110.513 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -59.51 -33.33 71.22 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.638 1.175 . . . . 0.0 113.693 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.0 mtp -113.76 3.17 15.43 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.598 1.159 . . . . 0.0 111.146 -173.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m 42.46 78.92 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.134 1.773 . . . . 0.0 111.168 -161.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mt -117.49 154.42 31.46 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 106.76 -1.571 . . . . 0.0 106.76 168.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.1 p -93.53 161.13 14.49 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 123.372 0.669 . . . . 0.0 110.288 -161.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -67.73 -13.74 62.36 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.368 1.067 . . . . 0.0 111.862 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.8 -34.2 52.52 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 119.222 -0.418 . . . . 0.0 111.899 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 pt -79.82 -14.02 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.086 0.857 . . . . 0.0 112.808 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -62.29 -41.08 98.2 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 173.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -45.86 81.25 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.322 1.449 . . . . 0.0 110.816 170.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -70.15 -14.96 62.88 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.498 1.119 . . . . 0.0 112.402 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -100.47 -36.51 9.18 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.639 1.576 . . . . 0.0 111.844 175.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -68.12 -65.18 0.73 Allowed 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 126.897 2.079 . . . . 0.0 108.894 175.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -77.17 12.59 1.39 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.492 1.117 . . . . 0.0 111.19 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -54.48 -37.49 65.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 120.31 1.414 . . . . 0.0 109.871 173.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -97.03 66.11 2.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.67 1.588 . . . . 0.0 109.48 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.98 173.69 6.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 128.653 2.781 . . . . 0.0 110.532 167.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.23 49.5 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.097 1.359 . . . . 0.0 113.115 -170.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.25 52.56 0.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 107.865 -2.094 . . . . 0.0 107.865 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -88.66 147.39 24.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 162.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.75 134.4 55.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.783 0.801 . . . . 0.0 112.669 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.1 mt -113.7 107.8 23.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 127.671 2.388 . . . . 0.0 106.042 -167.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 -14.78 3.92 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.172 -0.918 . . . . 0.0 113.338 -175.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -64.63 122.52 17.03 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 120.346 1.43 . . . . 0.0 109.38 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -57.94 -25.9 61.54 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.731 -0.605 . . . . 0.0 110.596 175.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.15 -20.29 66.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.344 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 p -71.89 -48.31 46.58 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.911 1.232 . . . . 0.0 108.715 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.47 -45.92 88.62 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 124.544 1.069 . . . . 0.0 111.994 -173.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -40.39 97.59 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.535 -0.333 . . . . 0.0 111.818 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.42 84.86 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.565 -0.709 . . . . 0.0 110.752 174.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.34 -43.91 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.717 0.807 . . . . 0.0 110.054 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -59.87 -49.83 76.15 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 119.347 0.976 . . . . 0.0 111.397 173.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.4 t -56.7 -43.13 80.25 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 117.964 0.347 . . . . 0.0 110.951 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.8 mt -57.43 -56.36 22.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.097 174.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 m -49.8 -46.31 50.83 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.547 1.067 . . . . 0.0 112.0 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 m -51.76 -56.41 14.01 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.816 1.189 . . . . 0.0 110.186 170.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -61.38 -36.8 81.26 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.555 1.07 . . . . 0.0 112.14 -170.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.27 -21.79 66.77 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.836 0.744 . . . . 0.0 110.8 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.2 t30 63.94 100.14 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 127.09 2.156 . . . . 0.0 107.344 -150.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 26.1 mtm -148.28 4.83 0.72 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.285 1.034 . . . . 0.0 112.839 172.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.6 mt -102.17 122.56 44.4 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.746 1.157 . . . . 0.0 108.115 175.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.3 171.09 3.59 Favored Pre-proline 0 N--CA 1.477 0.903 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.61 -7.73 20.21 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.5 2.133 . . . . 0.0 112.71 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -98.82 -13.39 20.13 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 126.804 2.042 . . . . 0.0 110.667 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.92 29.8 40.95 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.374 1.464 . . . . 0.0 113.533 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -130.53 59.45 1.65 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.686 1.243 . . . . 0.0 110.223 -174.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? 62.98 112.25 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.421 1.888 . . . . 0.0 112.792 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -78.88 90.64 4.72 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.049 0.94 . . . . 0.0 109.638 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -42.24 -42.08 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 126.095 1.758 . . . . 0.0 113.43 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.97 -73.85 0.42 Allowed Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.45 0.548 . . . . 0.0 112.595 173.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -56.62 -37.37 70.61 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.956 1.302 . . . . 0.0 113.088 -176.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.05 -53.42 57.19 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.594 1.557 . . . . 0.0 109.788 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.462 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 8.7 ttm -65.73 -36.43 83.57 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.573 0.749 . . . . 0.0 110.82 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -53.29 59.39 Favored 'General case' 0 N--CA 1.432 -1.373 0 C-N-CA 123.703 0.801 . . . . 0.0 110.227 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -53.67 -39.84 65.44 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.068 0.547 . . . . 0.0 110.192 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.35 -67.77 0.32 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.442 0.697 . . . . 0.0 110.52 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HE2' ' SD ' ' A' ' 74' ' ' MET . 0.9 OUTLIER -57.6 -34.24 69.05 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.838 -0.539 . . . . 0.0 111.008 -175.314 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -52.44 -43.09 64.68 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.4 1.88 . . . . 0.0 112.166 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -84.54 2.18 42.41 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.821 0.737 . . . . 0.0 111.636 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.52 23.34 34.11 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-N 119.315 0.961 . . . . 0.0 112.294 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.67 146.42 30.85 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.616 1.708 . . . . 0.0 107.809 169.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.4 162.24 28.55 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 174.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.08 -58.99 4.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.387 1.475 . . . . 0.0 111.446 -173.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.3 m -61.8 -34.55 76.1 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.328 0.651 . . . . 0.0 109.66 175.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.7 ttt -54.15 -59.41 4.69 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 176.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.75 73.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 117.172 -1.394 . . . . 0.0 112.379 -175.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -58.87 -50.94 72.1 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.011 0.823 . . . . 0.0 110.224 170.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -52.75 -56.2 17.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 124.955 1.302 . . . . 0.0 111.427 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -53.7 -39.12 64.91 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 120.365 1.439 . . . . 0.0 112.842 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mt -73.19 -38.28 54.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-N 120.177 1.353 . . . . 0.0 111.468 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.29 -34.84 77.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 120.828 1.649 . . . . 0.0 110.375 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mt -72.69 -57.13 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.279 1.031 . . . . 0.0 109.249 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.9 t -58.39 -56.81 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 124.384 1.074 . . . . 0.0 110.075 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -56.08 -38.38 70.6 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.45 0.7 . . . . 0.0 109.163 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.27 17.6 9.74 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 127.582 2.515 . . . . 0.0 113.057 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.2 m -126.59 -34.74 2.41 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 116.555 -1.688 . . . . 0.0 110.2 166.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.63 -24.01 0.48 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 121.903 2.138 . . . . 0.0 115.657 -177.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 -25.28 1.93 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 120.124 -1.61 . . . . 0.0 112.91 176.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.8 m -60.04 -46.29 90.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.09 1.756 . . . . 0.0 111.781 170.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.9 m -73.81 122.37 87.42 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 125.479 1.512 . . . . 0.0 108.541 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -76.07 145.31 27.79 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.103 2.535 . . . . 0.0 110.858 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.99 -174.82 5.11 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.465 1.506 . . . . 0.0 110.093 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -179.54 3.98 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.25 1.02 . . . . 0.0 110.155 171.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -10.61 11.2 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 125.576 1.55 . . . . 0.0 112.791 171.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.46 92.03 0.8 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 166.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -54.48 -26.94 34.32 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 124.31 1.044 . . . . 0.0 111.53 173.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 63.7 m -54.67 -55.13 32.94 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 171.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.6 mt -63.83 -44.78 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 125.312 1.445 . . . . 0.0 109.534 -175.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -51.5 -60.27 3.33 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.696 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.5 m -69.67 -23.23 63.43 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.402 1.001 . . . . 0.0 112.369 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.1 tp -58.76 -50.64 73.2 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.663 -1.273 . . . . 0.0 108.622 164.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.83 -51.87 46.4 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.773 1.178 . . . . 0.0 111.298 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.27 -30.38 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 C-N-CA 124.456 1.102 . . . . 0.0 110.822 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.86 -36.25 56.9 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.614 -1.304 . . . . 0.0 112.203 171.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.8 m -71.54 -47.36 55.65 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.414 1.085 . . . . 0.0 110.579 -172.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 26.3 p -57.05 -48.58 78.19 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 175.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -57.81 -50.06 74.56 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.663 1.985 . . . . 0.0 110.329 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.08 -52.02 9.53 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.777 1.631 . . . . 0.0 110.392 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.37 -25.0 68.09 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.22 -34.54 49.25 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.187 0.995 . . . . 0.0 110.507 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 3.0 mm -64.5 -42.29 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -53.14 -55.81 21.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.655 0.782 . . . . 0.0 111.429 166.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -49.83 -51.63 38.46 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.668 1.576 . . . . 0.0 112.071 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.2 mt -69.33 -6.76 31.72 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.709 1.203 . . . . 0.0 112.393 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 51.3 t30 54.64 26.1 7.08 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.138 2.175 . . . . 0.0 111.847 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -79.81 31.72 0.25 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.057 1.343 . . . . 0.0 112.551 -178.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.832 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 175.915 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.271 2.2 mm-40 22.2 -78.0 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 147.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -49.85 -68.99 0.13 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.061 1.344 . . . . 0.0 111.637 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.07 -33.34 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.977 0.911 . . . . 0.0 111.063 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -50.33 74.38 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.76 0.824 . . . . 0.0 110.71 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -60.1 -45.94 91.26 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.7 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -57.76 -40.99 81.04 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.599 1.16 . . . . 0.0 111.921 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mt -66.67 -47.94 70.88 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.674 1.19 . . . . 0.0 109.877 174.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t -72.81 19.83 0.08 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.943 1.697 . . . . 0.0 111.764 173.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -129.07 -51.6 1.21 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 126.04 1.736 . . . . 0.0 108.599 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -60.93 -27.09 67.95 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.796 1.238 . . . . 0.0 112.344 174.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -53.8 -65.57 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.274 1.829 . . . . 0.0 108.334 170.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.45 36.2 2.43 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 120.987 -1.071 . . . . 0.0 113.28 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -66.35 -62.66 1.35 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.618 1.709 . . . . 0.0 109.428 169.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.79 22.36 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.638 1.575 . . . . 0.0 113.355 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.05 -50.26 72.68 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 120.871 -1.143 . . . . 0.0 110.448 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.45 -35.89 72.83 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.232 0.924 . . . . 0.0 112.535 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.66 -67.02 0.4 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 173.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 70.3 m -48.59 -43.04 35.67 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.457 0.703 . . . . 0.0 111.986 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -51.57 -54.73 24.47 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.626 1.57 . . . . 0.0 111.105 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -82.24 -19.84 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.064 0.393 . . . . 0.0 110.993 -175.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.43 -27.75 63.5 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.182 0.993 . . . . 0.0 112.971 173.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.5 mtp -118.24 -14.71 9.83 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.263 1.025 . . . . 0.0 112.218 -171.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.0 m 57.36 87.92 0.06 Allowed 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.574 1.55 . . . . 0.0 109.779 -156.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.7 mt -119.53 139.63 51.8 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 167.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.8 p -67.35 164.12 19.24 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 125.044 1.337 . . . . 0.0 111.422 -170.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -22.41 65.75 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.176 -0.952 . . . . 0.0 111.059 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.65 -22.74 64.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -176.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.3 pt -72.58 -26.16 23.67 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 CA-C-O 117.663 -1.16 . . . . 0.0 111.941 174.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -60.28 -47.55 85.51 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 120.261 1.391 . . . . 0.0 107.325 173.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.04 -44.05 91.72 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.543 1.137 . . . . 0.0 110.386 176.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.0 -57.78 11.19 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.699 0.399 . . . . 0.0 110.028 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.6 -45.19 81.55 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.399 1.48 . . . . 0.0 111.809 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -62.0 -48.84 78.51 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.887 1.275 . . . . 0.0 110.281 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -91.54 2.19 56.61 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 117.542 -1.218 . . . . 0.0 112.36 -173.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -50.27 -38.28 40.29 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 120.649 1.568 . . . . 0.0 112.683 -168.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.463 ' CH2' HG21 ' A' ' 122' ' ' ILE . 39.8 m95 -82.81 26.44 0.59 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.579 1.552 . . . . 0.0 114.477 176.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -72.18 168.17 18.78 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 126.13 1.772 . . . . 0.0 109.558 167.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -96.72 24.67 5.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -167.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.91 30.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.673 0 C-N-CA 124.795 1.188 . . . . 0.0 111.765 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -72.35 131.18 42.31 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.956 0.878 . . . . 0.0 108.921 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -101.28 138.06 38.81 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.773 0.829 . . . . 0.0 112.557 169.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -115.08 103.48 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 -164.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -137.27 4.48 2.68 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -63.84 93.46 0.08 Allowed 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 158.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.41 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 51.8 ttt-85 -46.23 -30.82 2.15 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.176 1.391 . . . . 0.0 113.355 174.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.7 -24.29 65.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.858 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.6 p -69.04 -41.92 77.03 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 119.765 1.166 . . . . 0.0 108.455 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.08 -47.07 75.56 Favored Glycine 0 C--N 1.335 0.522 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -30.64 63.83 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.894 -1.05 . . . . 0.0 113.449 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.52 -55.39 35.49 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 121.26 1.845 . . . . 0.0 108.799 167.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.2 mt -49.74 -42.21 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 125.466 1.507 . . . . 0.0 109.332 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 39.0 ttp -61.65 -55.99 24.63 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.216 1.006 . . . . 0.0 112.75 172.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.24 -58.18 7.95 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.126 0.971 . . . . 0.0 111.311 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -48.4 -49.15 36.01 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 125.847 1.659 . . . . 0.0 111.364 172.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.2 m -51.24 -50.42 59.21 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.081 1.31 . . . . 0.0 112.535 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -53.22 -50.15 65.3 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.774 1.17 . . . . 0.0 110.444 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -63.19 -18.22 63.25 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -173.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.08 2.24 55.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.388 1.904 . . . . 0.0 111.974 171.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.2 t30 66.08 36.25 5.82 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 128.171 2.589 . . . . 0.0 113.162 -168.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 47.9 mtm -95.65 8.89 42.12 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.981 -1.074 . . . . 0.0 112.281 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.2 mt -118.88 98.32 6.14 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 120.365 1.439 . . . . 0.0 108.702 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.53 167.14 0.49 Allowed Pre-proline 0 CA--C 1.537 0.457 0 C-N-CA 128.411 2.685 . . . . 0.0 109.915 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -84.98 41.6 0.98 Allowed 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.067 1.845 . . . . 0.0 112.702 -158.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -147.38 -18.38 0.38 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.99 2.916 . . . . 0.0 109.448 -176.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.97 20.69 32.68 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.314 1.435 . . . . 0.0 112.91 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -95.07 164.45 12.87 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.241 1.416 . . . . 0.0 109.194 165.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 tt -80.03 120.28 23.99 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -176.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.13 85.99 2.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.696 1.198 . . . . 0.0 108.868 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -50.75 -36.61 37.45 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 125.615 1.566 . . . . 0.0 111.975 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.1 -68.53 1.37 Allowed Glycine 0 CA--C 1.523 0.558 0 C-N-CA 124.401 1.0 . . . . 0.0 112.02 170.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -29.12 70.4 Favored 'General case' 0 CA--C 1.53 0.205 0 O-C-N 122.217 -0.578 . . . . 0.0 111.589 -176.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.13 97.61 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.537 1.135 . . . . 0.0 111.209 173.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.3 ttm -69.57 -38.53 77.43 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.441 -0.787 . . . . 0.0 111.389 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.92 -47.6 84.43 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -52.14 -45.52 65.03 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.982 1.313 . . . . 0.0 110.121 174.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.85 -58.52 7.63 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 124.233 1.013 . . . . 0.0 110.712 -177.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.9 mppp? -59.55 -43.91 93.41 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.332 0.653 . . . . 0.0 109.425 -177.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -46.1 -55.75 6.56 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.458 1.503 . . . . 0.0 111.105 173.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -75.62 -7.78 55.13 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 117.772 -1.108 . . . . 0.0 113.577 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.35 8.02 33.9 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 120.279 1.4 . . . . 0.0 114.691 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.42 159.36 21.49 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.369 1.585 . . . . 0.0 109.05 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.68 171.48 14.97 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.958 0.409 . . . . 0.0 110.624 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -53.18 59.15 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.469 1.107 . . . . 0.0 108.594 172.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.3 m -58.04 -50.68 72.59 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.86 1.264 . . . . 0.0 108.866 -175.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.6 ttp -59.89 -49.36 77.99 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.316 1.046 . . . . 0.0 110.626 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.8 -29.7 69.71 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 120.015 1.279 . . . . 0.0 112.833 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -60.63 -50.87 71.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.25 169.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -56.98 -44.35 82.61 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.752 1.221 . . . . 0.0 111.776 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.9 mt -63.62 -16.45 60.94 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.233 1.013 . . . . 0.0 112.684 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mp -99.6 -41.23 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.053 167.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.35 -44.47 80.13 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 120.87 1.668 . . . . 0.0 111.184 -176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 55.4 mt -70.04 -53.66 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.43 1.092 . . . . 0.0 108.889 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.23 -56.97 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 124.258 1.023 . . . . 0.0 110.151 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -51.81 -42.21 62.33 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.451 1.5 . . . . 0.0 108.321 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.79 -52.75 40.36 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 125.423 1.487 . . . . 0.0 112.406 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 11.6 m -68.86 -30.86 69.47 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 116.061 -1.924 . . . . 0.0 112.903 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -15.09 0.66 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 122.26 2.3 . . . . 0.0 115.883 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.43 -29.44 2.44 Favored 'General case' 0 N--CA 1.461 0.083 0 C-N-CA 125.675 1.59 . . . . 0.0 113.131 175.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.19 -53.11 49.65 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.704 0.802 . . . . 0.0 112.2 172.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.8 m -55.51 116.85 12.89 Favored Pre-proline 0 N--CA 1.451 -0.41 0 C-N-CA 125.248 1.419 . . . . 0.0 109.744 -171.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.39 129.1 11.7 Favored 'Trans proline' 0 N--CA 1.444 -1.402 0 C-N-CA 122.154 1.903 . . . . 0.0 108.477 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -139.32 170.22 16.33 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.718 1.207 . . . . 0.0 109.317 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -80.59 -175.0 4.99 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 163.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -5.53 6.24 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.573 -0.704 . . . . 0.0 112.225 166.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -70.05 95.32 0.95 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.358 1.063 . . . . 0.0 109.31 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.601 ' HE3' ' CE3' ' A' ' 110' ' ' TRP . 2.3 mmmt -53.01 -27.77 20.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.54 -1.219 . . . . 0.0 112.992 178.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 34.1 m -61.42 -50.47 72.68 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.783 1.174 . . . . 0.0 108.598 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.0 mm -60.42 -47.83 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 126.059 1.744 . . . . 0.0 109.164 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.601 ' CE3' ' HE3' ' A' ' 107' ' ' LYS . 27.0 t90 -50.7 -63.66 1.06 Allowed 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 124.493 1.117 . . . . 0.0 110.696 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.8 m -60.14 -31.33 69.98 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.03 0.932 . . . . 0.0 110.784 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -60.76 -53.83 52.57 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 125.092 1.357 . . . . 0.0 111.142 172.472 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.36 -44.02 95.39 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 40.4 t -57.38 -42.61 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 117.441 0.62 . . . . 0.0 110.767 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.3 71.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.878 -1.139 . . . . 0.0 111.989 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.3 m -73.1 -41.92 63.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.618 0.767 . . . . 0.0 110.904 -172.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.7 p -65.15 -45.77 83.63 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.243 0.929 . . . . 0.0 109.288 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -56.64 -52.36 65.17 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.999 1.719 . . . . 0.0 110.675 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -47.65 -54.42 12.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.44 1.018 . . . . 0.0 110.067 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.96 -35.11 72.62 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.91 -42.08 99.66 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 121.301 -0.874 . . . . 0.0 110.435 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.463 HG21 ' CH2' ' A' ' 37' ' ' TRP . 15.7 mm -56.6 -47.16 82.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 119.541 1.064 . . . . 0.0 109.824 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -56.81 -43.94 81.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.046 0.538 . . . . 0.0 110.888 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -40.34 94.9 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.075 1.35 . . . . 0.0 108.556 -178.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 38.3 mt -71.74 -3.57 22.74 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.875 -176.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 36.6 t30 54.95 22.97 4.67 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 128.516 2.726 . . . . 0.0 111.605 -167.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -73.24 9.89 1.14 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.625 1.57 . . . . 0.0 112.298 175.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 1 C-N-CA 133.822 4.849 . . . . 0.0 110.861 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 CA--C 1.514 -0.41 0 CA-C-O 117.007 -1.473 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 23.48 -87.18 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.888 2.875 . . . . 0.0 113.649 160.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -43.77 -64.85 0.58 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 129.704 3.201 . . . . 0.0 112.352 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.406 HG11 ' CD1' ' A' ' 8' ' ' LEU . 6.8 t -56.72 -45.71 82.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 C-N-CA 123.976 0.911 . . . . 0.0 108.566 175.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -39.57 74.65 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.02 -1.05 . . . . 0.0 110.191 -175.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -56.03 -55.06 37.37 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 118.893 0.77 . . . . 0.0 109.763 171.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -48.11 -49.07 33.31 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.292 1.837 . . . . 0.0 110.129 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' CD1' HG11 ' A' ' 4' ' ' VAL . 7.1 mp -54.01 -57.41 11.14 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.413 1.085 . . . . 0.0 109.518 177.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 p -64.41 -22.73 67.05 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.18 -62.82 1.22 Allowed 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -77.24 -20.44 55.22 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 114.295 -1.321 . . . . 0.0 111.02 -169.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -57.26 -62.25 1.9 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.358 1.063 . . . . 0.0 109.175 164.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.47 12.32 3.54 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 118.597 -1.113 . . . . 0.0 114.206 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -56.77 -52.13 66.22 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.503 2.151 . . . . 0.0 110.678 174.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.32 17.78 0.61 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.709 1.204 . . . . 0.0 112.417 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tp -56.7 -53.51 56.9 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 120.151 1.341 . . . . 0.0 109.996 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.56 -31.54 69.78 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 118.289 0.495 . . . . 0.0 111.804 -173.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -54.22 -60.83 2.81 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 168.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.2 m -59.38 -31.25 69.05 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.778 1.231 . . . . 0.0 113.12 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.15 -56.69 16.21 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 172.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -76.42 -26.39 55.47 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 118.965 0.802 . . . . 0.0 111.526 -171.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.26 -35.29 67.27 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 125.99 1.716 . . . . 0.0 112.506 175.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mtm -130.99 1.88 4.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.277 0.631 . . . . 0.0 111.89 -169.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.3 m 44.72 84.2 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.288 1.435 . . . . 0.0 110.75 -158.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 mt -108.18 136.44 47.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 164.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.3 p -60.93 161.47 8.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.051 0.844 . . . . 0.0 112.587 -171.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -23.43 67.22 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 122.929 0.492 . . . . 0.0 111.69 164.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.68 -16.26 60.56 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -173.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pt -72.26 -21.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.97 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -57.22 -43.37 82.78 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -59.96 -51.18 70.78 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.89 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -65.28 -16.61 63.75 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.752 1.16 . . . . 0.0 112.263 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -92.68 -48.59 6.51 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 125.912 1.685 . . . . 0.0 110.812 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.61 -50.48 71.87 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.37 2.268 . . . . 0.0 110.089 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -93.36 6.13 49.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.452 2.301 . . . . 0.0 111.884 -176.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -50.08 -34.14 20.78 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.621 1.1 . . . . 0.0 110.509 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.428 ' CH2' HG22 ' A' ' 122' ' ' ILE . 82.3 m95 -94.98 17.88 13.07 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.521 1.928 . . . . 0.0 114.822 -174.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.95 165.56 8.67 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.975 -1.078 . . . . 0.0 109.865 168.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -89.09 24.5 2.1 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 125.086 1.354 . . . . 0.0 114.344 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.99 17.39 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 C-N-CA 123.806 0.717 . . . . 0.0 112.614 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.46 129.78 38.71 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 118.33 1.065 . . . . 0.0 109.766 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -97.1 134.99 39.72 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.755 174.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.5 mt -113.87 110.19 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.01 4.24 4.11 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.661 0.784 . . . . 0.0 112.011 175.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -62.2 110.28 1.57 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.822 1.649 . . . . 0.0 109.197 173.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.0 ttm105 -61.08 -26.68 67.81 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 121.146 -0.971 . . . . 0.0 111.08 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.62 -31.39 70.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.714 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.2 p -71.13 -40.73 71.24 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 119.454 1.024 . . . . 0.0 108.54 -176.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -57.75 -45.7 93.11 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.77 -28.65 61.77 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 176.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.5 -49.97 71.46 Favored 'General case' 0 C--O 1.227 -0.097 0 CA-C-N 119.412 1.005 . . . . 0.0 109.816 171.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.31 -41.68 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 124.61 1.164 . . . . 0.0 109.358 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -61.99 -52.14 65.2 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.959 0.799 . . . . 0.0 110.727 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.0 t -56.4 -45.31 80.7 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.606 -1.309 . . . . 0.0 111.046 178.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.4 -45.34 93.55 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.298 -0.877 . . . . 0.0 111.088 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.7 m -49.95 -55.95 12.5 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.051 1.34 . . . . 0.0 110.584 172.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 m -50.23 -56.61 10.41 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.006 0.922 . . . . 0.0 110.355 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -62.23 -13.45 28.15 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.25 1.42 . . . . 0.0 112.177 -173.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.6 mt -102.8 9.08 39.21 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.057 1.343 . . . . 0.0 110.864 176.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 44.05 49.42 7.43 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 129.34 3.056 . . . . 0.0 112.32 -163.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -93.87 29.54 2.06 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 121.753 -0.592 . . . . 0.0 111.185 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.4 mt -125.74 119.76 28.8 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 121.518 -0.739 . . . . 0.0 109.138 173.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.77 172.03 1.24 Allowed Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 127.207 2.203 . . . . 0.0 109.512 177.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.92 4.07 3.44 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.695 2.263 . . . . 0.0 115.022 -171.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -114.59 -15.41 11.99 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.135 1.334 . . . . 0.0 112.694 166.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.18 24.73 11.07 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 124.693 1.14 . . . . 0.0 113.594 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -121.97 93.74 4.09 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 24.36 124.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.667 1 C-N-CA 135.53 5.532 . . . . 0.0 117.539 -177.126 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -79.57 84.31 5.45 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.459 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -53.65 -33.43 55.18 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.574 1.55 . . . . 0.0 112.565 175.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.13 -58.33 15.13 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 123.261 0.458 . . . . 0.0 112.064 170.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -23.26 62.66 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.385 -1.068 . . . . 0.0 111.467 -176.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.92 -54.5 15.13 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.464 1.505 . . . . 0.0 110.529 173.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.8 ttm -59.68 -35.52 74.63 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.681 0.673 . . . . 0.0 110.997 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -58.99 -43.58 91.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.14 174.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -54.6 -47.95 72.74 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.86 10.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.4 0.68 . . . . 0.0 111.325 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -22.35 64.93 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.139 0.881 . . . . 0.0 111.517 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -66.29 -50.22 64.43 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 125.215 1.406 . . . . 0.0 110.186 167.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -76.4 -9.05 58.35 Favored 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -164.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.03 7.05 27.51 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 119.625 1.102 . . . . 0.0 112.888 -173.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.97 166.09 17.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 119.329 1.564 . . . . 0.0 110.892 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.592 ' H ' ' HE1' ' A' ' 86' ' ' MET . 7.1 m-20 -96.41 167.47 11.15 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.174 1.789 . . . . 0.0 108.808 -170.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -50.9 66.98 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.298 1.039 . . . . 0.0 111.383 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -62.68 -48.02 81.11 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 123.557 0.743 . . . . 0.0 109.369 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.592 ' HE1' ' H ' ' A' ' 83' ' ' ASP . 1.2 ttp -55.79 -46.24 78.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.578 0.751 . . . . 0.0 109.824 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.64 84.64 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.451 -0.785 . . . . 0.0 112.029 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -69.02 -38.38 79.17 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.522 -1.228 . . . . 0.0 110.727 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -56.79 -49.11 76.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 120.469 1.486 . . . . 0.0 111.343 174.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.05 -17.47 57.49 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.667 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.1 mt -96.73 -40.57 10.57 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 119.98 1.264 . . . . 0.0 111.511 170.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.6 -43.56 84.78 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 119.607 1.094 . . . . 0.0 110.21 -174.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.2 mt -76.1 -40.87 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.149 0.98 . . . . 0.0 109.426 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.19 -55.7 15.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 124.218 1.007 . . . . 0.0 110.406 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -55.44 -40.69 71.84 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.128 1.371 . . . . 0.0 108.428 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.72 15.05 2.34 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 127.366 2.412 . . . . 0.0 114.639 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.8 m -127.78 -29.02 2.64 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 125.739 1.616 . . . . 0.0 110.335 169.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -50.71 -26.03 5.03 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 122.226 2.285 . . . . 0.0 115.567 -175.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -33.46 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.743 1.217 . . . . 0.0 110.7 177.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.7 m -56.86 -46.96 81.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 127.331 2.252 . . . . 0.0 112.848 173.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.2 m -65.78 118.86 55.77 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 174.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.95 135.04 22.57 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.667 2.245 . . . . 0.0 107.8 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.35 -174.89 4.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.777 0.799 . . . . 0.0 111.18 -175.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -128.1 -179.17 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 127.118 2.167 . . . . 0.0 107.65 167.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.61 -10.37 26.0 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.526 1.13 . . . . 0.0 112.923 -174.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.464 ' HB3' ' H ' ' A' ' 109' ' ' ILE . 3.0 m-20 -65.82 96.01 0.27 Allowed 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 165.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.5 mmpp? -51.75 -26.96 10.58 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.066 163.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 17.1 m -59.92 -57.42 12.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.144 0.884 . . . . 0.0 108.966 170.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.464 ' H ' ' HB3' ' A' ' 106' ' ' ASP . 7.2 mm -62.65 -46.06 97.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 125.602 1.561 . . . . 0.0 109.512 -172.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -49.32 -64.13 0.9 Allowed 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 125.217 1.407 . . . . 0.0 109.514 173.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.3 m -60.59 -39.33 87.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.53 0.732 . . . . 0.0 110.795 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.1 tp -55.97 -46.91 78.48 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 124.343 1.057 . . . . 0.0 109.236 173.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.55 93.33 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.865 0.745 . . . . 0.0 111.362 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.06 -19.84 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 124.512 1.125 . . . . 0.0 110.871 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.64 -37.75 14.4 Favored 'General case' 0 C--O 1.225 -0.22 0 O-C-N 120.763 -1.21 . . . . 0.0 111.831 169.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 34.6 m -73.22 -35.08 66.23 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.915 1.234 . . . . 0.0 111.272 -173.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 22.7 p -58.23 -56.24 24.64 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.544 1.066 . . . . 0.0 108.27 170.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -61.08 -46.97 88.45 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 128.855 2.862 . . . . 0.0 111.893 -171.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -41.68 -57.63 2.24 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 125.716 1.606 . . . . 0.0 108.654 172.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.12 -11.0 60.58 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.463 -170.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -85.23 -33.03 22.31 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 120.48 1.491 . . . . 0.0 112.377 168.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.428 HG22 ' CH2' ' A' ' 37' ' ' TRP . 11.8 mm -55.12 -43.33 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 167.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -59.0 -45.41 90.72 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.129 0.972 . . . . 0.0 112.915 175.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -48.32 77.63 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 121.997 2.181 . . . . 0.0 111.483 173.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.26 -22.57 63.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.431 1.092 . . . . 0.0 110.599 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 52.5 t30 66.85 49.72 1.17 Allowed 'General case' 0 C--O 1.237 0.414 0 C-N-CA 129.086 2.955 . . . . 0.0 110.485 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 52.3 m0 -105.11 18.31 22.56 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.217 1.407 . . . . 0.0 114.235 -173.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 CA-C-N 121.082 1.765 . . . . 0.0 111.523 176.198 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -59.16 -28.05 66.23 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 124.969 1.308 . . . . 0.0 112.12 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -47.55 -64.17 0.86 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.278 1.031 . . . . 0.0 109.904 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.1 p -84.02 -35.68 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 123.391 0.676 . . . . 0.0 112.396 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -41.63 76.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.956 -0.465 . . . . 0.0 111.024 -176.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -40.07 86.77 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 120.555 -1.341 . . . . 0.0 109.897 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -56.3 -49.55 73.97 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 127.016 2.126 . . . . 0.0 111.186 169.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.9 mt -59.71 -54.02 51.2 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.098 -1.001 . . . . 0.0 108.644 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.2 m -59.31 -14.45 11.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.904 1.282 . . . . 0.0 113.428 174.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.3 -66.55 0.9 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.43 -4.27 47.49 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -169.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -43.26 -54.6 4.47 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.146 0.978 . . . . 0.0 109.815 153.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.1 43.28 2.94 Favored Glycine 0 C--N 1.336 0.534 0 O-C-N 121.066 -1.021 . . . . 0.0 113.524 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -53.91 18.06 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.965 1.882 . . . . 0.0 109.295 171.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.12 25.69 0.16 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.87 1.268 . . . . 0.0 113.396 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 tp -62.95 -56.09 20.2 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.577 1.151 . . . . 0.0 111.58 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -29.55 70.23 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.56 -52.07 35.85 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.4 m -55.43 -38.61 69.22 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.087 0.955 . . . . 0.0 111.454 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -58.79 -63.27 1.35 Allowed 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.85 1.26 . . . . 0.0 109.019 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.49 -28.13 69.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 119.483 1.038 . . . . 0.0 112.581 -177.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -60.32 -58.43 8.55 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.484 1.114 . . . . 0.0 111.618 175.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.0 mtm -101.82 -0.3 34.44 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.003 0.521 . . . . 0.0 112.224 -169.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.7 m 58.97 81.8 0.16 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.411 2.285 . . . . 0.0 110.592 -171.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -115.39 129.19 56.5 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.8 p -69.42 166.53 18.51 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.221 1.008 . . . . 0.0 110.929 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -11.11 60.44 Favored 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 121.193 -0.942 . . . . 0.0 112.63 174.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.3 -28.74 68.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.199 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.4 pt -68.67 -29.8 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 124.631 1.172 . . . . 0.0 110.345 176.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.39 -17.77 64.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.19 -0.944 . . . . 0.0 110.295 173.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.5 -55.1 8.51 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 120.39 1.45 . . . . 0.0 107.325 166.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -75.29 -27.95 59.55 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 119.241 0.928 . . . . 0.0 112.126 -164.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -65.99 -45.98 79.68 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.233 0.924 . . . . 0.0 111.066 165.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -60.79 -49.33 77.92 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 119.697 1.135 . . . . 0.0 109.411 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.99 -4.74 48.54 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 126.251 1.821 . . . . 0.0 111.576 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -52.07 -44.69 64.46 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 121.501 1.955 . . . . 0.0 112.091 -165.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.3 m95 -82.86 38.51 0.58 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.363 1.065 . . . . 0.0 112.622 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 170.49 10.16 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.976 1.71 . . . . 0.0 111.633 175.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.35 61.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.696 1.998 . . . . 0.0 112.382 -167.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.84 58.43 1.04 Allowed Glycine 0 N--CA 1.454 -0.116 0 N-CA-C 108.197 -1.961 . . . . 0.0 108.197 -174.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -90.09 166.97 13.1 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.233 1.413 . . . . 0.0 108.807 162.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -133.84 148.78 51.34 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.317 1.447 . . . . 0.0 112.603 168.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.7 mt -123.5 121.68 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 127.982 2.513 . . . . 0.0 105.84 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -136.83 -17.76 1.41 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -56.02 110.71 0.79 Allowed 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -22.33 38.21 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 119.624 1.102 . . . . 0.0 110.591 171.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -52.22 -37.29 54.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.24 2.216 . . . . 0.0 111.478 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.05 -36.27 30.72 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.41 -56.19 16.28 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 126.985 2.231 . . . . 0.0 109.248 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.62 -31.49 72.73 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.508 -0.995 . . . . 0.0 113.329 174.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.5 76.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.941 1.246 . . . . 0.0 110.323 172.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.9 mt -60.85 -41.34 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 125.275 1.43 . . . . 0.0 109.087 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 34.5 ttp -59.56 -46.44 88.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.101 0.56 . . . . 0.0 110.761 172.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.82 -48.08 83.13 Favored 'General case' 0 C--N 1.342 0.246 0 O-C-N 121.546 -0.721 . . . . 0.0 111.645 177.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.86 -39.81 95.55 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.406 -0.809 . . . . 0.0 110.022 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 m -56.51 -53.61 55.47 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.804 172.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -48.13 -49.18 33.13 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.38 0.991 . . . . 0.0 111.668 170.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -67.7 -20.1 65.24 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 121.283 -0.886 . . . . 0.0 112.283 -172.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.7 mt -98.77 14.45 28.73 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.181 1.392 . . . . 0.0 110.02 176.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 50.78 36.89 15.49 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 128.672 2.789 . . . . 0.0 111.526 -174.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.9 mtt -85.92 9.7 16.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 117.877 -1.059 . . . . 0.0 111.837 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.3 mt -119.47 116.49 26.23 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 120.322 1.419 . . . . 0.0 108.39 175.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 65' ' ' GLU . 0.3 OUTLIER -60.4 170.62 1.24 Allowed Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 126.42 1.888 . . . . 0.0 109.696 179.339 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -75.25 41.75 0.8 Allowed 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.963 3.109 . . . . 0.0 112.611 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' A' ' 63' ' ' ASP . 26.0 mt-10 -137.23 -27.66 0.96 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 126.182 1.793 . . . . 0.0 109.958 166.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.8 24.77 7.55 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.803 1.192 . . . . 0.0 114.31 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -115.4 169.89 8.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.219 1.509 . . . . 0.0 108.37 168.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.86 116.26 2.44 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.766 1.626 . . . . 0.0 111.093 -173.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -74.42 87.3 2.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.395 1.478 . . . . 0.0 107.842 173.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -51.58 -36.87 47.26 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.381 1.073 . . . . 0.0 111.779 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.49 -75.4 0.23 Allowed Glycine 0 CA--C 1.527 0.807 0 C-N-CA 125.641 1.591 . . . . 0.0 113.477 170.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -66.69 -25.75 66.7 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.314 1.557 . . . . 0.0 112.459 -171.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.57 87.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.557 0.743 . . . . 0.0 111.192 168.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.7 ttm -77.77 -29.82 51.14 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.888 -1.133 . . . . 0.0 112.013 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -55.57 -55.38 32.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.491 1.116 . . . . 0.0 108.477 168.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -50.39 -51.72 43.64 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 124.289 0.993 . . . . 0.0 108.963 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.41 -62.08 1.91 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.004 0.82 . . . . 0.0 113.086 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -39.86 85.14 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.216 -0.928 . . . . 0.0 112.085 -173.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -50.61 -33.64 22.94 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 126.66 1.984 . . . . 0.0 112.902 177.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -90.45 -9.72 46.42 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.836 0.854 . . . . 0.0 112.322 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.84 16.15 12.03 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.496 1.046 . . . . 0.0 113.604 -175.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.97 147.74 52.85 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 119.576 1.688 . . . . 0.0 110.796 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -67.52 159.68 29.21 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.306 167.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -45.04 94.08 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 172.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -31.4 70.33 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.972 0.909 . . . . 0.0 110.941 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.3 ttp -74.33 -51.53 14.9 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 120.737 -1.227 . . . . 0.0 108.347 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -36.92 76.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 122.914 0.485 . . . . 0.0 111.428 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -65.6 -44.66 85.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 117.292 -1.337 . . . . 0.0 109.654 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -57.56 -48.14 80.13 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 120.543 1.519 . . . . 0.0 111.357 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.37 -34.38 72.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 124.372 1.069 . . . . 0.0 111.097 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -39.82 16.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-O 117.299 -1.334 . . . . 0.0 111.567 172.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.92 -37.31 81.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 120.922 1.692 . . . . 0.0 110.971 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 67.9 mt -78.31 -45.36 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 124.189 0.996 . . . . 0.0 109.448 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.04 -46.84 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.97 0.805 . . . . 0.0 110.616 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.568 ' CD2' ' HE2' ' A' ' 99' ' ' LYS . 17.9 t-160 -58.07 -50.09 74.67 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 178.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.12 15.95 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 C-N-CA 128.148 2.785 . . . . 0.0 115.009 174.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 10.3 m -133.0 -29.4 1.45 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 116.192 -1.861 . . . . 0.0 111.599 165.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -54.98 -22.07 13.97 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 123.435 2.834 . . . . 0.0 112.867 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.568 ' HE2' ' CD2' ' A' ' 95' ' ' HIS . 0.4 OUTLIER -121.89 -25.54 4.98 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 119.807 -1.808 . . . . 0.0 113.417 177.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 m -80.54 -33.11 36.52 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.45 1.5 . . . . 0.0 112.943 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.7 m -75.91 114.4 36.67 Favored Pre-proline 0 N--CA 1.45 -0.465 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 170.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -71.33 147.72 53.59 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.533 2.155 . . . . 0.0 109.449 171.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -155.97 174.1 15.83 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.937 -0.477 . . . . 0.0 110.269 168.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.461 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -65.28 177.42 1.09 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.946 0.898 . . . . 0.0 109.374 162.786 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -0.57 1.49 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.152 0.981 . . . . 0.0 112.182 162.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.461 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 6.8 t70 -74.97 94.42 2.84 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 120.376 -1.453 . . . . 0.0 109.572 175.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.572 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 13.5 mmmm -67.21 -24.49 65.85 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.21 -0.932 . . . . 0.0 111.673 -171.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 65.0 m -58.89 -54.34 48.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 169.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.4 mm -59.26 -44.13 91.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 123.893 0.877 . . . . 0.0 110.308 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.572 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 30.1 t90 -57.07 -63.52 1.18 Allowed 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 125.623 1.569 . . . . 0.0 111.556 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -60.5 -33.95 73.35 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 118.648 0.658 . . . . 0.0 110.434 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.22 -55.17 9.08 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.41 1.084 . . . . 0.0 108.988 168.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.53 -38.23 94.58 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.671 1.129 . . . . 0.0 113.158 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.37 -34.94 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 118.349 1.075 . . . . 0.0 110.38 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.17 67.55 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 120.891 -1.13 . . . . 0.0 110.981 170.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 m -60.82 -40.54 93.12 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 120.143 1.338 . . . . 0.0 112.126 -171.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.0 p -66.53 -59.8 3.3 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.399 0.679 . . . . 0.0 109.956 171.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.411 ' CE1' HD12 ' A' ' 122' ' ' ILE . 63.1 t80 -49.23 -50.3 39.17 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 124.941 1.296 . . . . 0.0 111.063 -174.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.04 -55.9 3.02 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 126.073 1.749 . . . . 0.0 110.703 172.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.02 -32.97 72.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 122.203 0.201 . . . . 0.0 111.115 -172.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -70.78 -38.55 73.39 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.245 1.418 . . . . 0.0 109.503 177.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.411 HD12 ' CE1' ' A' ' 118' ' ' PHE . 7.0 mm -62.91 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 CA-C-N 119.489 1.04 . . . . 0.0 109.678 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -57.66 -45.52 85.44 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 119.205 -0.426 . . . . 0.0 110.22 176.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -59.2 -44.22 92.25 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.777 0.717 . . . . 0.0 111.576 175.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.0 mt -65.18 -8.03 15.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.767 1.227 . . . . 0.0 112.874 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 56.27 22.51 6.28 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.403 1.881 . . . . 0.0 112.025 -170.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 46.8 m0 -82.65 46.35 1.06 Allowed 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.682 -1.261 . . . . 0.0 109.301 177.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 116.9 -1.524 . . . . 0.0 107.815 177.025 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 117.376 -1.297 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.407 HE21 ' C ' ' A' ' 128' ' ' ALA 0.351 1.1 tt0 21.47 -76.4 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 130.154 3.382 . . . . 0.0 116.236 159.523 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -52.72 -47.21 67.5 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.774 2.03 . . . . 0.0 110.387 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.6 t -69.45 -34.23 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.562 1.145 . . . . 0.0 110.584 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -48.48 81.56 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.877 1.217 . . . . 0.0 109.065 176.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -58.08 -51.27 70.38 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 123.688 0.795 . . . . 0.0 109.598 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.71 -40.84 84.87 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.37 -50.78 72.23 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.207 -0.933 . . . . 0.0 109.23 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -58.37 -28.24 64.97 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.665 1.186 . . . . 0.0 111.295 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -80.57 -47.0 14.82 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.668 1.987 . . . . 0.0 109.759 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -82.55 -27.02 31.88 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.506 0.722 . . . . 0.0 111.937 -177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -54.7 -54.87 36.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 157.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.22 47.27 3.79 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.3 -0.722 . . . . 0.0 113.961 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -100.97 -41.4 6.82 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 117.11 -1.424 . . . . 0.0 113.247 174.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.458 ' CB ' ' HE3' ' A' ' 58' ' ' LYS . . . -76.97 27.48 0.14 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 121.025 1.738 . . . . 0.0 113.111 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.72 -56.39 22.45 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.856 -1.152 . . . . 0.0 111.108 -172.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -62.89 -36.33 82.99 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.238 1.015 . . . . 0.0 110.157 -173.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -56.42 -58.77 6.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 170.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.1 m -59.83 -29.42 68.25 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -66.11 -56.81 9.62 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 124.312 1.045 . . . . 0.0 109.374 173.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -66.14 -33.3 75.47 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.617 0.644 . . . . 0.0 110.847 -176.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -57.11 -31.85 65.73 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.879 1.272 . . . . 0.0 113.56 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mtm -127.2 -0.09 6.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -168.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 m 49.99 81.63 0.06 Allowed 'General case' 0 C--O 1.236 0.393 0 C-N-CA 124.501 1.12 . . . . 0.0 109.666 -159.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -112.44 136.65 51.68 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 170.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.7 p -66.82 154.65 40.35 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.584 0.553 . . . . 0.0 111.012 -174.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.3 -20.61 63.01 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 123.226 0.61 . . . . 0.0 110.627 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.04 -10.89 6.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.175 1.79 . . . . 0.0 114.255 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.3 pt -74.45 -16.91 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 119.203 0.911 . . . . 0.0 111.831 169.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -59.09 -51.94 67.89 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -52.8 -41.71 64.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.699 0.681 . . . . 0.0 111.298 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -68.16 -49.01 63.77 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.319 0.508 . . . . 0.0 110.795 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.45 -40.23 95.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 118.819 0.736 . . . . 0.0 111.713 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -60.58 -52.08 66.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 126.026 1.73 . . . . 0.0 109.058 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -89.56 8.24 32.24 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.288 0.635 . . . . 0.0 112.214 -174.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -50.76 -42.19 57.47 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.778 1.631 . . . . 0.0 110.929 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -85.22 17.69 2.93 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -65.47 166.97 9.43 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 120.504 1.502 . . . . 0.0 111.238 174.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -94.35 24.41 4.49 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 126.15 1.78 . . . . 0.0 113.731 -167.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 164.77 31.06 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 C-N-CA 124.519 1.057 . . . . 0.0 111.695 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -82.61 146.66 29.01 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.334 0.654 . . . . 0.0 109.41 -176.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -122.08 133.92 54.77 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 122.419 1.104 . . . . 0.0 110.321 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.7 mt -101.35 122.89 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 104.145 -2.539 . . . . 0.0 104.145 -175.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -142.02 -20.52 0.72 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.403 -173.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 110.53 2.4 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 174.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.402 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 7.0 ttp85 -53.26 -29.12 31.21 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.806 0.73 . . . . 0.0 110.239 174.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.15 -29.05 63.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.121 1.368 . . . . 0.0 112.621 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.6 p -69.78 -47.25 63.58 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 119.558 1.072 . . . . 0.0 108.708 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.76 -43.29 86.82 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 124.674 1.13 . . . . 0.0 112.095 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -32.35 61.34 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 118.333 -0.842 . . . . 0.0 112.584 177.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.79 80.31 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.966 1.257 . . . . 0.0 109.643 170.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.9 mt -51.96 -56.19 7.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 C-N-CA 124.604 1.162 . . . . 0.0 108.067 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -55.76 -45.79 78.0 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.31 0.959 . . . . 0.0 111.96 -177.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.67 -47.4 82.41 Favored 'General case' 0 C--O 1.225 -0.201 0 O-C-N 122.026 -0.421 . . . . 0.0 110.618 174.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.68 -44.81 95.3 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.12 -0.987 . . . . 0.0 109.857 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 m -53.22 -49.17 67.34 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.662 1.119 . . . . 0.0 110.262 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -52.3 -55.74 19.41 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.902 -1.124 . . . . 0.0 110.723 171.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' HE3' ' CB ' ' A' ' 15' ' ' ALA . 3.9 mmmt -62.21 -27.38 68.94 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.312 -0.867 . . . . 0.0 111.189 -172.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.6 mt -84.73 10.83 10.33 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.082 1.353 . . . . 0.0 110.963 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 t30 41.78 46.78 3.42 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 128.454 2.702 . . . . 0.0 110.372 -171.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.97 -1.64 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.778 -169.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.6 mt -100.09 137.01 39.11 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 123.549 0.74 . . . . 0.0 109.757 -172.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER -53.38 162.33 1.22 Allowed Pre-proline 0 C--O 1.239 0.506 0 C-N-CA 128.141 2.576 . . . . 0.0 108.456 166.706 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.03 6.67 0.98 Allowed 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 122.49 2.127 . . . . 0.0 111.784 173.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 63' ' ' ASP . 5.8 mm-40 -114.05 -8.89 13.02 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 128.623 2.769 . . . . 0.0 110.54 -173.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.16 33.48 32.41 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 125.054 1.311 . . . . 0.0 112.644 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -124.42 -171.57 2.37 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 128.094 2.558 . . . . 0.0 107.635 177.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.494 HD11 ' H ' ' A' ' 70' ' ' HIS . 2.1 tm? -70.24 128.28 35.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.348 1.431 . . . . 0.0 109.57 177.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -73.34 -14.92 61.38 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -176.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.494 ' H ' HD11 ' A' ' 68' ' ' LEU . 26.9 m80 67.28 -55.88 0.45 Allowed 'General case' 0 C--O 1.232 0.153 0 C-N-CA 128.984 2.913 . . . . 0.0 112.219 -166.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.4 -72.45 0.57 Allowed Glycine 0 CA--C 1.526 0.778 0 C-N-CA 125.056 1.313 . . . . 0.0 113.057 -174.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -57.86 -40.14 79.43 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.623 -174.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.9 -59.93 2.05 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.916 1.286 . . . . 0.0 110.134 169.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.1 ttm -65.12 -43.98 90.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -60.13 -47.04 87.56 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -58.15 -44.22 87.77 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 124.351 1.061 . . . . 0.0 110.797 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.34 -61.89 2.24 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 123.173 0.589 . . . . 0.0 109.607 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -57.55 -34.46 69.19 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.583 -0.698 . . . . 0.0 111.896 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -54.78 -38.55 67.39 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.805 1.242 . . . . 0.0 112.527 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -78.63 6.86 7.84 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.138 0.575 . . . . 0.0 112.015 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.37 5.33 85.2 Favored Glycine 0 CA--C 1.526 0.741 0 CA-C-O 119.023 -0.876 . . . . 0.0 112.229 -174.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.54 148.49 48.63 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 118.456 1.128 . . . . 0.0 110.256 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.61 153.13 36.88 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.276 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -53.2 57.03 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.39 2.276 . . . . 0.0 109.197 175.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 83.8 m -65.06 -47.55 76.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.664 1.586 . . . . 0.0 110.875 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.5 ttm -52.43 -51.91 56.74 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.46 -38.53 87.56 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.559 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -58.19 -53.4 58.72 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.97 0.804 . . . . 0.0 109.262 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -59.25 -41.0 87.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.57 1.148 . . . . 0.0 111.922 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.8 mt -64.62 -14.62 58.81 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 117.959 -1.02 . . . . 0.0 111.586 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.25 -51.25 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-O 116.629 -1.653 . . . . 0.0 110.698 163.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.1 -28.91 69.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 121.114 1.779 . . . . 0.0 112.149 -165.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 53.5 mt -70.61 -48.81 56.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.55 -58.28 8.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 125.183 1.393 . . . . 0.0 110.413 -173.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -56.62 -38.34 71.96 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 123.866 0.867 . . . . 0.0 109.052 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.23 7.6 2.46 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.893 2.187 . . . . 0.0 114.429 174.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 59.7 m -124.12 -35.57 2.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 126.601 1.961 . . . . 0.0 110.498 169.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.67 -25.59 0.5 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 122.062 2.21 . . . . 0.0 115.136 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.24 -36.75 3.31 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 125.383 1.473 . . . . 0.0 112.023 172.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -40.31 95.47 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.636 0.774 . . . . 0.0 112.043 -175.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.8 m -63.34 120.05 58.63 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 124.718 1.207 . . . . 0.0 109.572 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.18 129.3 11.2 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.013 2.475 . . . . 0.0 109.395 175.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -136.26 174.14 10.94 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.288 0.635 . . . . 0.0 111.0 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.11 176.96 8.44 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 156.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.74 -6.0 4.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.962 0.905 . . . . 0.0 112.5 169.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -67.15 96.04 0.44 Allowed 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 120.707 -1.245 . . . . 0.0 108.504 176.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.667 ' HE3' ' CE3' ' A' ' 110' ' ' TRP . 8.2 mmmt -57.86 -24.46 57.61 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.087 -1.008 . . . . 0.0 113.092 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.2 m -61.75 -52.96 62.1 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 170.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.4 -42.88 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.137 1.775 . . . . 0.0 109.109 -173.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.667 ' CE3' ' HE3' ' A' ' 107' ' ' LYS . 29.3 t90 -47.61 -63.63 1.0 Allowed 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 125.309 1.444 . . . . 0.0 109.527 171.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.7 m -60.58 -38.52 84.88 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.088 0.555 . . . . 0.0 111.382 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -50.84 -49.87 57.97 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.664 1.586 . . . . 0.0 110.145 172.155 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.59 -42.72 87.71 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 124.76 1.171 . . . . 0.0 112.085 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.32 -24.53 33.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 117.721 0.761 . . . . 0.0 110.753 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -83.04 -41.72 18.33 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 120.898 -1.126 . . . . 0.0 111.907 168.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.0 m -61.02 -43.57 98.69 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.122 1.328 . . . . 0.0 110.719 -172.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 17.8 p -61.66 -51.71 67.33 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.486 0.66 . . . . 0.0 109.931 178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.76 -48.14 83.15 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.309 2.244 . . . . 0.0 110.057 -175.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -47.53 -54.18 12.37 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.166 0.986 . . . . 0.0 109.74 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.67 73.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.496 ' HA ' ' HE3' ' A' ' 124' ' ' LYS . 8.9 mm-40 -63.8 -43.11 97.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.211 0.914 . . . . 0.0 111.075 171.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.2 mm -57.66 -47.16 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.19 0.905 . . . . 0.0 108.853 175.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -56.02 -50.05 71.97 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.056 0.543 . . . . 0.0 111.412 173.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -59.71 -41.26 90.39 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 119.957 -1.714 . . . . 0.0 112.555 178.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.79 -7.52 16.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.901 1.681 . . . . 0.0 112.337 172.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 51.9 t30 59.58 26.23 15.23 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.549 1.94 . . . . 0.0 112.041 -173.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -91.01 -8.04 50.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.561 1.945 . . . . 0.0 112.907 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' C ' HE21 ' A' ' 2' ' ' GLN . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-N 119.593 1.088 . . . . 0.0 108.279 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.422 ' HG3' ' HA ' ' A' ' 127' ' ' TRP . 3.8 mt-30 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -50.95 -59.58 4.0 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 126.543 1.937 . . . . 0.0 111.138 -173.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.51 HG22 ' CD1' ' A' ' 8' ' ' LEU . 1.2 p -62.04 -45.05 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 124.381 1.072 . . . . 0.0 110.731 176.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -36.89 46.66 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -61.89 -50.2 73.17 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -54.8 -39.66 68.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 124.351 1.06 . . . . 0.0 112.497 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.51 ' CD1' HG22 ' A' ' 4' ' ' VAL . 4.8 mp -60.49 -55.49 32.83 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -60.78 -32.54 71.87 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.612 0.765 . . . . 0.0 110.98 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.56 -54.93 15.76 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.919 1.688 . . . . 0.0 108.139 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -77.51 -23.92 50.15 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.592 -172.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.405 ' HA ' HD11 ' A' ' 59' ' ' LEU . 54.1 t80 -57.79 -56.89 16.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.118 1.367 . . . . 0.0 108.831 165.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.29 36.93 1.54 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.897 0.76 . . . . 0.0 114.013 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -80.07 -65.75 0.97 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.217 1.508 . . . . 0.0 109.422 170.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.77 14.54 0.1 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -172.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.3 tp -61.07 -46.11 91.98 Favored 'General case' 0 C--O 1.224 -0.258 0 O-C-N 120.768 -1.207 . . . . 0.0 110.605 -174.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 20' ' ' LYS . 4.2 t70 -69.12 -30.0 68.18 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.27 -59.11 5.92 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 168.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.5 m -52.43 -38.22 58.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.974 0.91 . . . . 0.0 112.42 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 10.2 mtpm? -57.71 -56.02 27.36 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.531 1.133 . . . . 0.0 110.432 176.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.256 0.1 OUTLIER -63.09 -40.53 97.92 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 125.67 1.588 . . . . 0.0 109.058 -178.853 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -59.58 -51.51 69.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.016 1.326 . . . . 0.0 110.734 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.3 mtp -108.1 2.3 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.26 0.624 . . . . 0.0 111.512 -161.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.6 m 51.71 77.17 0.15 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 126.681 1.992 . . . . 0.0 109.355 -167.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.5 mt -112.47 136.39 52.03 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -73.69 169.54 17.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 122.666 1.222 . . . . 0.0 109.853 -173.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.77 -17.21 64.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.545 174.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -10.47 45.49 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.467 HG22 HG22 ' A' ' 48' ' ' THR . 2.3 pt -80.59 -24.39 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 117.753 -1.118 . . . . 0.0 110.139 175.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -56.44 -40.81 75.39 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 119.486 1.039 . . . . 0.0 108.677 170.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.76 -56.63 19.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 115.916 -1.992 . . . . 0.0 109.287 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.451 ' CB ' HG21 ' A' ' 48' ' ' THR . 1.0 OUTLIER -48.99 -56.52 8.67 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.655 1.116 . . . . 0.0 107.991 178.306 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -60.95 -26.55 67.59 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -81.23 -43.73 18.81 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.697 1.599 . . . . 0.0 111.491 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -95.53 2.88 54.51 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.211 1.405 . . . . 0.0 112.941 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -48.16 -41.58 27.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.749 2.019 . . . . 0.0 110.503 -176.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -89.99 47.17 1.42 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.116 1.766 . . . . 0.0 112.569 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.64 166.78 11.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.63 1.172 . . . . 0.0 110.567 168.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -94.92 23.74 5.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.718 1.207 . . . . 0.0 113.98 -171.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.39 40.48 0.02 OUTLIER Glycine 0 CA--C 1.509 -0.293 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -91.31 141.79 28.4 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 167.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -126.48 137.45 53.39 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.402 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 79.3 mt -100.86 104.23 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 C-N-CA 129.98 3.312 . . . . 0.0 105.406 -161.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 9.9 mmpt? -124.35 -6.14 7.67 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.758 -173.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.515 ' HB3' HG23 ' A' ' 48' ' ' THR . 52.8 t-20 -74.85 108.08 7.36 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 120.453 1.479 . . . . 0.0 107.967 170.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -52.76 -27.87 19.73 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.936 1.244 . . . . 0.0 111.036 175.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -65.96 -26.1 67.42 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 117.726 -1.13 . . . . 0.0 111.22 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.515 HG23 ' HB3' ' A' ' 45' ' ' ASN 0.259 11.2 p -69.76 -41.15 75.57 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.253 1.388 . . . . 0.0 108.617 177.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.51 -56.44 7.25 Favored Glycine 0 C--N 1.341 0.856 0 C-N-CA 126.83 2.157 . . . . 0.0 112.226 169.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -34.98 75.48 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.419 -0.8 . . . . 0.0 113.07 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.02 79.43 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 119.705 1.139 . . . . 0.0 109.88 175.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.5 mt -52.56 -53.36 20.52 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.946 1.298 . . . . 0.0 108.336 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.7 ttp -58.54 -40.71 83.72 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.106 0.866 . . . . 0.0 112.304 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.4 t -63.16 -46.19 88.33 Favored 'General case' 0 C--N 1.338 0.097 0 O-C-N 121.606 -0.684 . . . . 0.0 110.609 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.5 mt -58.25 -50.17 74.54 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-O 118.65 -0.69 . . . . 0.0 109.15 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.6 m -50.35 -49.69 53.34 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.684 1.193 . . . . 0.0 112.043 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 m -52.94 -53.03 55.51 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.032 0.833 . . . . 0.0 111.028 169.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -65.2 -29.66 70.5 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.414 -0.803 . . . . 0.0 111.253 -171.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 12' ' ' PHE . 11.2 mt -88.66 5.46 43.03 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.843 1.657 . . . . 0.0 110.824 175.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.85 38.01 1.7 Allowed 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.907 2.483 . . . . 0.0 112.815 168.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.7 mtt -93.01 17.81 10.17 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.094 -1.004 . . . . 0.0 112.053 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.2 mt . . . . . 0 CA--C 1.517 -0.296 0 CA-C-N 120.624 1.556 . . . . 0.0 109.704 -179.807 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.402 HD13 ' CG1' ' A' ' 94' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 122.487 1.137 . . . . 0.0 113.25 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.56 76.99 1.47 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 170.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -55.88 -33.65 64.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.091 0.956 . . . . 0.0 110.651 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -47.76 -61.36 4.81 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.133 1.349 . . . . 0.0 112.555 166.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -74.84 -31.26 61.61 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.658 -0.907 . . . . 0.0 112.491 -175.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.25 -41.3 65.31 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.022 1.329 . . . . 0.0 111.05 168.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.6 ttm -69.27 -39.94 78.08 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 118.824 0.738 . . . . 0.0 111.558 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -56.18 -46.28 79.44 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 118.951 0.796 . . . . 0.0 109.001 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.34 -42.91 74.46 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.621 0.646 . . . . 0.0 110.179 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 -60.88 2.9 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 123.282 0.633 . . . . 0.0 110.007 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 mppp? -61.15 -34.79 75.58 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.472 0.578 . . . . 0.0 111.057 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -56.77 -36.27 69.64 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.246 1.819 . . . . 0.0 111.861 174.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -90.0 -5.27 56.83 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 117.761 -1.114 . . . . 0.0 113.295 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.19 1.98 20.23 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 119.593 1.088 . . . . 0.0 114.944 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.71 150.06 49.11 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 119.131 1.465 . . . . 0.0 112.249 -167.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.453 ' H ' ' HE2' ' A' ' 86' ' ' MET . 0.0 OUTLIER -69.0 167.89 14.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 114.433 -1.258 . . . . 0.0 108.8 170.679 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -61.24 1.85 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.286 1.435 . . . . 0.0 111.612 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.2 m -62.12 -30.01 70.73 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 118.592 0.633 . . . . 0.0 109.501 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.66 ' O ' HD22 ' A' ' 90' ' ' LEU . 1.9 ttp -60.1 -66.23 0.55 Allowed 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 171.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.84 -34.83 55.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 119.613 1.097 . . . . 0.0 112.804 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -48.89 72.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 117.767 -1.111 . . . . 0.0 110.873 172.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -50.29 -54.12 23.66 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 125.804 1.641 . . . . 0.0 110.559 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 86' ' ' MET . 2.5 mm? -56.97 -40.16 75.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 117.03 -1.462 . . . . 0.0 111.809 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.94 -47.2 77.08 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 CA-C-O 117.27 -1.347 . . . . 0.0 109.938 175.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.41 -36.18 77.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 120.907 1.685 . . . . 0.0 110.647 -172.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 58.4 mt -72.79 -47.68 48.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.144 0.977 . . . . 0.0 109.495 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.402 ' CG1' HD13 ' A' ' 68' ' ' LEU . 28.6 t -64.56 -56.57 15.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 124.332 1.053 . . . . 0.0 110.044 -177.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -51.12 -40.67 59.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.958 1.703 . . . . 0.0 108.417 173.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.4 -1.38 64.79 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 127.802 2.62 . . . . 0.0 115.153 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.9 m -122.32 -26.28 4.67 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.198 1.999 . . . . 0.0 111.729 170.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -21.49 3.14 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.94 2.155 . . . . 0.0 113.556 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.03 -46.31 2.09 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 120.456 -1.402 . . . . 0.0 110.081 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -46.09 68.51 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 124.546 1.138 . . . . 0.0 112.044 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.2 m -68.59 115.07 26.52 Favored Pre-proline 0 N--CA 1.447 -0.58 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -73.25 154.91 51.79 Favored 'Trans proline' 0 N--CA 1.445 -1.382 0 C-N-CA 121.815 1.677 . . . . 0.0 108.854 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -160.19 170.95 20.09 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 124.919 1.288 . . . . 0.0 108.226 166.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -171.9 0.57 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 168.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.48 -15.85 1.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.131 0.972 . . . . 0.0 112.787 163.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -74.19 92.23 2.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -171.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -54.23 -27.92 37.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.533 1.133 . . . . 0.0 113.943 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 50.3 m -61.58 -52.07 65.95 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 119.256 0.935 . . . . 0.0 109.146 171.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.499 ' HA ' HD23 ' A' ' 112' ' ' LEU . 15.7 mm -56.25 -52.24 53.84 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 125.496 1.518 . . . . 0.0 109.173 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -46.71 -66.95 0.33 Allowed 'General case' 0 N--CA 1.437 -1.125 0 C-N-CA 125.719 1.608 . . . . 0.0 111.692 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.8 m -58.86 -35.16 72.51 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 124.057 0.848 . . . . 0.0 111.939 -176.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 109' ' ' ILE . 0.1 OUTLIER -53.25 -47.47 69.04 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.208 1.003 . . . . 0.0 110.392 172.198 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.97 -39.83 84.74 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 118.715 -1.047 . . . . 0.0 112.137 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.02 -43.21 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 118.674 1.237 . . . . 0.0 108.548 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.79 90.8 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.064 -1.022 . . . . 0.0 111.934 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 94.3 m -70.14 -39.03 75.62 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 118.21 -0.9 . . . . 0.0 112.517 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 16.1 p -65.76 -49.99 66.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.771 1.169 . . . . 0.0 108.904 173.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -54.32 -45.94 72.74 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.782 1.633 . . . . 0.0 111.014 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -47.9 -53.11 16.82 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.289 1.035 . . . . 0.0 110.128 175.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.01 -40.88 77.49 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.281 0.491 . . . . 0.0 110.563 -176.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -58.59 -42.66 88.57 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.98 0.809 . . . . 0.0 111.075 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.36 -41.68 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.219 0.607 . . . . 0.0 110.016 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -59.74 -52.6 64.81 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.564 173.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -53.77 -42.84 68.68 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.676 1.126 . . . . 0.0 111.89 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.99 -5.06 28.21 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.511 1.124 . . . . 0.0 112.632 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 36.3 t30 45.59 50.61 10.45 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 126.547 1.939 . . . . 0.0 110.846 -168.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.422 ' HA ' ' HG3' ' A' ' 2' ' ' GLN . 36.7 m0 -95.28 1.5 54.51 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.712 174.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 C-N-CA 125.809 1.643 . . . . 0.0 108.731 167.139 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.371 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.57 -42.05 67.15 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.748 1.219 . . . . 0.0 111.907 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.1 t -70.73 -34.77 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 123.706 0.802 . . . . 0.0 109.55 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -49.82 72.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.648 1.113 . . . . 0.0 108.631 172.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -57.69 -51.57 68.97 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 125.003 1.321 . . . . 0.0 110.275 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.48 -43.68 93.42 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 125.328 1.451 . . . . 0.0 112.232 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.29 -53.05 60.99 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 174.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -59.02 -35.96 74.16 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.18 0.592 . . . . 0.0 111.976 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.1 tp -65.75 -50.45 64.73 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 124.233 1.013 . . . . 0.0 108.728 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -77.45 -34.34 54.47 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.885 -172.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.45 ' HA ' HD11 ' A' ' 59' ' ' LEU . 62.8 t80 -53.79 -51.72 62.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.18 1.392 . . . . 0.0 109.45 167.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.41 1.88 18.01 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 117.654 -1.637 . . . . 0.0 115.588 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -58.51 -60.55 3.62 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.526 2.163 . . . . 0.0 110.616 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.29 8.56 0.43 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.308 1.043 . . . . 0.0 113.805 -175.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.83 -47.04 87.34 Favored 'General case' 0 C--O 1.221 -0.409 0 O-C-N 120.775 -1.203 . . . . 0.0 110.766 -173.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.19 -34.23 76.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.594 1.558 . . . . 0.0 111.05 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.49 -52.89 41.27 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 173.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.2 m -56.41 -37.74 70.58 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.34 1.056 . . . . 0.0 111.819 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.465 ' HE2' ' OD1' ' A' ' 27' ' ' ASP . 17.0 mttp -58.79 -39.18 80.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.145 1.378 . . . . 0.0 111.673 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -90.73 -31.0 16.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.795 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.01 -46.59 71.84 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.901 1.228 . . . . 0.0 110.269 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mtp -117.32 3.72 12.57 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.772 0.829 . . . . 0.0 111.544 -162.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m 50.38 73.85 0.25 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.614 1.565 . . . . 0.0 110.769 -171.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 mt -112.84 129.88 56.29 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.1 p -68.62 167.23 15.55 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 125.211 1.404 . . . . 0.0 110.742 -167.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.465 ' OD1' ' HE2' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -79.44 -10.75 59.87 Favored 'General case' 0 C--N 1.333 -0.115 0 O-C-N 121.006 -1.059 . . . . 0.0 111.476 178.024 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.03 -30.93 60.59 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.888 1.275 . . . . 0.0 111.498 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.42 HG22 HG22 ' A' ' 48' ' ' THR . 2.8 pt -65.31 -23.56 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 O-C-N 121.756 -0.59 . . . . 0.0 112.047 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -62.88 -31.7 72.8 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.874 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.67 -11.96 59.92 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.013 -0.994 . . . . 0.0 112.359 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -74.65 -70.51 0.4 Allowed 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 158.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -52.63 -25.65 11.34 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -173.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -72.72 -58.23 3.51 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.706 1.602 . . . . 0.0 109.766 172.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -88.45 11.14 17.8 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.539 1.536 . . . . 0.0 112.028 -173.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -53.58 -35.82 61.24 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.843 -1.161 . . . . 0.0 109.268 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -100.04 31.14 3.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.354 1.462 . . . . 0.0 113.665 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -71.5 169.03 16.28 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 119.422 -2.048 . . . . 0.0 109.269 165.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -77.19 91.16 3.72 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 126.247 1.819 . . . . 0.0 106.796 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.41 12.92 77.57 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-O 118.443 -1.199 . . . . 0.0 114.28 169.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -60.09 139.69 57.33 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.735 1.767 . . . . 0.0 109.072 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -113.06 155.78 24.28 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-O 122.842 1.306 . . . . 0.0 110.647 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt -132.0 117.13 32.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 127.7 2.4 . . . . 0.0 105.469 -160.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.89 -17.09 1.09 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -53.2 110.39 0.54 Allowed 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 125.269 1.427 . . . . 0.0 108.684 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 32.9 ttp85 -57.13 -26.12 59.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.377 0.989 . . . . 0.0 109.637 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -58.08 -37.33 74.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.548 1.139 . . . . 0.0 111.812 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.42 HG22 HG22 ' A' ' 29' ' ' ILE . 8.1 p -72.94 -41.66 64.24 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -175.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.68 -42.51 96.3 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -37.3 74.18 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.511 0.656 . . . . 0.0 111.725 175.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.01 -48.06 79.38 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.187 0.903 . . . . 0.0 110.338 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.0 mt -55.0 -51.68 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 124.999 1.32 . . . . 0.0 109.165 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -59.44 -38.34 80.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.419 0.687 . . . . 0.0 112.063 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.2 t -64.99 -46.16 82.6 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.119 0.568 . . . . 0.0 110.789 173.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.447 HD22 ' O ' ' A' ' 12' ' ' PHE . 89.6 mt -60.14 -49.64 76.83 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.175 0.898 . . . . 0.0 109.597 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.0 m -53.94 -47.56 71.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.969 0.804 . . . . 0.0 111.418 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.8 m -52.77 -55.64 21.39 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.681 0.673 . . . . 0.0 110.913 173.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -64.83 -17.94 64.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.584 -0.698 . . . . 0.0 111.678 -171.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.45 HD11 ' HA ' ' A' ' 12' ' ' PHE . 23.2 mt -97.0 12.21 33.31 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.302 1.441 . . . . 0.0 110.83 176.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 53.03 34.42 17.04 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 129.132 2.973 . . . . 0.0 112.344 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.403 ' SD ' ' HA ' ' A' ' 73' ' ' ALA . 67.0 mtm -83.74 -1.61 54.53 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.187 -0.946 . . . . 0.0 112.351 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 C--O 1.235 0.29 0 CA-C-N 120.047 1.294 . . . . 0.0 108.374 171.362 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.639 0.733 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -66.53 93.09 0.22 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.075 1.35 . . . . 0.0 109.138 172.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -42.35 -50.02 5.09 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.533 1.133 . . . . 0.0 110.55 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.16 -71.04 0.71 Allowed Glycine 0 C--N 1.338 0.657 0 C-N-CA 125.374 1.464 . . . . 0.0 112.539 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -74.75 -25.86 59.38 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.391 -169.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.403 ' HA ' ' SD ' ' A' ' 61' ' ' MET . . . -56.76 -46.6 81.34 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.156 0.982 . . . . 0.0 110.413 168.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.4 ttm -69.86 -42.25 73.78 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.124 0.97 . . . . 0.0 110.929 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.65 -53.24 58.94 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 124.059 0.944 . . . . 0.0 109.275 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.15 -44.23 67.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.8 0.84 . . . . 0.0 110.314 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.74 -63.61 1.18 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.543 0.61 . . . . 0.0 111.267 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -27.66 68.04 Favored 'General case' 0 N--CA 1.461 0.088 0 O-C-N 120.96 -1.087 . . . . 0.0 113.067 -172.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -52.01 -44.06 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 126.852 2.061 . . . . 0.0 109.792 170.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.05 3.66 25.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.932 0.893 . . . . 0.0 112.154 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.04 25.44 44.79 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 120.726 -1.234 . . . . 0.0 112.508 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.08 151.99 46.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.26 -1.141 . . . . 0.0 110.734 175.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.39 159.16 34.46 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -49.22 74.27 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.606 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 87.6 m -55.98 -49.83 72.51 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 118.758 0.708 . . . . 0.0 109.852 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.1 ttt -56.23 -47.39 78.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.256 1.022 . . . . 0.0 111.015 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.85 85.67 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.832 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -49.96 75.34 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 172.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -63.27 -35.86 81.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.622 1.169 . . . . 0.0 113.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.4 mt -69.4 -4.42 18.36 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.603 1.161 . . . . 0.0 111.906 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.97 -50.46 8.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 117.468 -1.253 . . . . 0.0 109.525 159.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.06 -42.11 79.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 120.916 1.689 . . . . 0.0 111.445 -169.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 53.7 mt -70.7 -38.28 72.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.949 0.9 . . . . 0.0 109.749 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.5 t -73.5 -65.98 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.109 0 C-N-CA 125.101 1.36 . . . . 0.0 108.594 -175.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -47.69 -38.15 14.5 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.126 2.57 . . . . 0.0 109.59 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.82 -67.17 2.32 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 125.013 1.292 . . . . 0.0 110.413 173.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.439 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 1.6 m -54.97 -26.42 36.43 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 117.102 -1.427 . . . . 0.0 112.749 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -49.98 -28.7 7.27 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 122.368 2.349 . . . . 0.0 113.5 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.06 -29.49 2.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 124.682 1.193 . . . . 0.0 112.339 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.439 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . 27.0 m -64.25 -13.97 52.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.885 0.874 . . . . 0.0 112.956 169.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.0 m -111.78 114.73 51.79 Favored Pre-proline 0 C--O 1.238 0.494 0 C-N-CA 124.231 1.012 . . . . 0.0 108.49 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.01 140.57 31.62 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.595 2.197 . . . . 0.0 108.16 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -157.99 164.7 36.52 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 170.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.78 165.27 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.533 0.682 . . . . 0.0 109.896 160.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -0.76 0.67 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.351 1.86 . . . . 0.0 113.252 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -72.29 91.53 1.33 Allowed 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.543 1.137 . . . . 0.0 108.027 176.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.528 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -49.54 -30.22 8.15 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 126.614 1.966 . . . . 0.0 113.111 178.76 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 19.1 m -60.8 -57.15 13.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 173.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.1 mt -64.43 -43.76 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.925 0.89 . . . . 0.0 110.668 -175.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.528 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 32.1 t90 -53.36 -58.72 6.1 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 124.471 1.109 . . . . 0.0 110.831 174.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.2 m -62.58 -33.03 74.14 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.471 0.578 . . . . 0.0 111.071 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.484 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -50.86 -53.76 29.63 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 124.41 1.084 . . . . 0.0 109.846 167.11 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.19 -48.96 83.4 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-O 118.526 -1.152 . . . . 0.0 111.257 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.49 -49.82 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.935 1.294 . . . . 0.0 109.122 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.69 95.82 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.26 -0.9 . . . . 0.0 111.364 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.9 m -65.94 -47.4 74.79 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.482 0.713 . . . . 0.0 111.135 -176.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.0 p -63.12 -49.1 75.73 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 119.102 0.865 . . . . 0.0 110.017 176.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -52.62 -44.94 66.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.291 1.036 . . . . 0.0 111.028 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -49.78 -53.07 27.35 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.943 1.297 . . . . 0.0 110.393 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.45 -30.43 66.93 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.394 0.543 . . . . 0.0 112.296 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -72.28 -35.78 68.8 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.093 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 13.8 mm -58.65 -42.26 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 120.301 1.409 . . . . 0.0 109.832 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -59.33 -50.22 74.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.683 0.793 . . . . 0.0 109.919 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -63.93 -36.55 84.3 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.96 -1.087 . . . . 0.0 112.08 -178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.479 HD13 ' CZ3' ' A' ' 127' ' ' TRP . 34.0 mt -74.18 -2.89 26.67 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.09 0.956 . . . . 0.0 111.841 176.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 59.9 t30 58.61 31.97 21.65 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.411 1.484 . . . . 0.0 111.385 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.479 ' CZ3' HD13 ' A' ' 125' ' ' LEU . 33.1 m0 -94.03 12.0 27.82 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.09 1.356 . . . . 0.0 110.521 170.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 127.1 2.16 . . . . 0.0 108.378 176.518 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? . . . . . 0 CA--C 1.533 0.319 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -52.53 -53.62 43.74 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.716 2.006 . . . . 0.0 110.268 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 8' ' ' LEU . 68.4 t -59.63 -49.02 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.7 tpt -53.45 -41.79 66.47 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 119.268 0.94 . . . . 0.0 110.17 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -59.45 -48.15 82.76 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 119.257 0.935 . . . . 0.0 109.872 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -55.5 -37.66 68.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.997 1.319 . . . . 0.0 111.294 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.542 ' CD1' HG12 ' A' ' 4' ' ' VAL . 3.8 mp -67.03 -48.3 68.79 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.116 0.967 . . . . 0.0 110.227 176.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 t -56.48 -42.39 78.2 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.389 1.076 . . . . 0.0 109.94 176.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.47 -49.82 72.14 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 126.921 2.088 . . . . 0.0 107.216 -176.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.18 -41.45 66.99 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.702 -1.135 . . . . 0.0 112.661 -173.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.08 -43.74 82.41 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.36 14.34 8.98 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-O 117.193 -1.893 . . . . 0.0 115.623 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -54.25 -63.92 1.0 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 120.984 2.392 . . . . 0.0 109.419 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.73 25.99 0.33 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.687 1.195 . . . . 0.0 113.231 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.62 -51.15 69.66 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 120.622 -1.298 . . . . 0.0 110.743 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.61 -35.61 80.09 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.85 0.86 . . . . 0.0 111.626 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.62 -59.43 5.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 171.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.7 m -56.41 -31.87 64.31 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -63.56 -57.03 11.44 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.015 0.926 . . . . 0.0 110.087 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.78 -38.97 92.74 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 118.575 0.625 . . . . 0.0 111.18 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.81 -33.0 66.28 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.86 1.264 . . . . 0.0 112.576 -177.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.4 mtm -125.42 -2.38 7.46 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -170.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.1 m 50.18 83.54 0.04 OUTLIER 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.592 1.157 . . . . 0.0 109.8 -156.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.1 mt -108.63 151.17 26.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 163.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -75.45 161.02 29.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.114 -169.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.17 -18.54 61.25 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.766 -0.584 . . . . 0.0 109.426 171.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.08 -23.68 63.99 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.802 1.641 . . . . 0.0 113.2 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 pt -64.56 -23.63 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 CA-C-N 119.727 1.148 . . . . 0.0 111.113 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -55.55 -36.7 67.08 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.026 171.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.18 -40.48 78.09 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.005 0.922 . . . . 0.0 111.423 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.539 ' CB ' HG21 ' A' ' 48' ' ' THR . 0.2 OUTLIER -68.1 -43.77 77.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 118.68 0.673 . . . . 0.0 109.682 -179.614 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -66.64 -42.33 86.86 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.97 0.908 . . . . 0.0 111.057 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.7 -39.41 91.38 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.33 1.052 . . . . 0.0 111.125 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -95.93 13.82 25.59 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.404 1.082 . . . . 0.0 111.979 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -61.01 -29.89 69.98 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 119.959 -1.713 . . . . 0.0 110.278 -177.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -105.16 28.62 7.09 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.028 1.331 . . . . 0.0 114.031 174.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -68.15 174.19 4.09 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 121.066 -1.021 . . . . 0.0 108.344 157.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.02 25.29 2.89 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -164.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.22 17.45 0.53 Allowed Glycine 0 CA--C 1.524 0.653 0 O-C-N 121.093 -1.004 . . . . 0.0 111.867 -171.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -54.49 139.24 38.28 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.022 0.929 . . . . 0.0 109.389 167.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -107.87 140.06 41.54 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 122.352 1.072 . . . . 0.0 112.985 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.9 mt -112.11 104.68 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 C-N-CA 128.87 2.868 . . . . 0.0 103.622 -161.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -131.98 -9.44 3.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.779 0.718 . . . . 0.0 112.839 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.639 ' HB3' HG23 ' A' ' 48' ' ' THR . 4.7 t-20 -64.27 104.3 0.74 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.685 1.194 . . . . 0.0 108.251 169.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.0 ttm105 -57.64 -29.74 64.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.966 0.907 . . . . 0.0 110.406 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.45 -24.03 66.37 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.388 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 45' ' ' ASN . 6.1 p -71.01 -44.16 66.47 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 119.931 1.241 . . . . 0.0 108.805 174.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.4 -53.92 14.61 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.011 1.291 . . . . 0.0 111.246 171.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -31.07 69.33 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.572 -0.958 . . . . 0.0 113.452 177.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.63 93.03 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 119.639 1.109 . . . . 0.0 110.137 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.03 -46.91 87.91 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 C-N-CA 124.425 1.09 . . . . 0.0 108.711 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -60.21 -47.95 83.79 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.159 0.891 . . . . 0.0 111.956 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -58.54 -47.11 85.28 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.691 -0.631 . . . . 0.0 110.889 175.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.1 mt -60.18 -48.87 79.91 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.207 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.45 -43.63 55.23 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.73 1.15 . . . . 0.0 110.216 176.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 m -53.98 -54.43 39.15 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -72.44 -13.72 61.51 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.654 1.182 . . . . 0.0 113.928 -169.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -80.7 -0.67 39.33 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.405 1.457 . . . . 0.0 111.248 165.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 t30 58.56 30.31 19.63 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 127.668 2.387 . . . . 0.0 111.58 -164.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.8 mtp -79.94 2.95 21.52 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.497 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.45 -0.442 0 C-N-CA 125.06 1.344 . . . . 0.0 107.911 -172.497 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 C--O 1.234 0.251 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -95.34 95.02 8.19 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 128.399 2.68 . . . . 0.0 107.803 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -57.84 -28.51 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.153 0.981 . . . . 0.0 112.385 -173.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.32 -64.28 4.51 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 125.645 1.593 . . . . 0.0 113.414 169.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -65.5 -30.12 70.85 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.614 0.721 . . . . 0.0 109.791 -177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.28 -41.12 97.04 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.182 -0.949 . . . . 0.0 112.312 174.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 24.0 ttm -72.06 -34.65 68.9 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 119.298 0.954 . . . . 0.0 111.573 173.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -57.31 -48.13 79.73 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -51.72 -45.74 63.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.846 1.258 . . . . 0.0 111.144 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.34 -60.55 3.24 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.256 1.022 . . . . 0.0 110.13 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -31.5 69.95 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 119.219 -0.42 . . . . 0.0 110.219 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -56.65 -51.42 68.79 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 126.087 1.755 . . . . 0.0 111.376 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -72.49 -17.83 61.72 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 117.408 -1.282 . . . . 0.0 113.324 -171.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.33 8.51 19.26 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 120.155 1.343 . . . . 0.0 111.968 -171.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.26 167.13 12.88 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 118.881 1.341 . . . . 0.0 109.32 178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.83 167.51 10.88 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -63.08 1.33 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.912 1.685 . . . . 0.0 111.152 -174.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 83.3 m -67.5 -23.43 65.47 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.104 0.411 . . . . 0.0 110.415 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.623 ' O ' HD22 ' A' ' 90' ' ' LEU . 6.2 ttt -61.78 -57.76 10.63 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 169.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.26 79.85 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 119.719 -1.863 . . . . 0.0 112.444 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -73.35 -21.88 60.43 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 117.59 -1.195 . . . . 0.0 112.07 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -65.57 -58.9 4.65 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 120.546 1.521 . . . . 0.0 109.109 166.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.623 HD22 ' O ' ' A' ' 86' ' ' MET . 2.1 mm? -55.69 -41.53 73.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 119.74 1.154 . . . . 0.0 111.968 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.55 -28.02 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 116.7 -1.619 . . . . 0.0 110.933 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.87 -50.07 70.27 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 122.492 2.405 . . . . 0.0 109.866 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.3 mt -67.38 -49.75 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 125.316 1.447 . . . . 0.0 108.29 -174.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.422 HG23 ' CE1' ' A' ' 118' ' ' PHE . 54.9 t -64.71 -51.8 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.764 -178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -56.23 -35.75 67.71 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.62 -68.86 1.48 Allowed Glycine 0 C--N 1.341 0.818 0 C-N-CA 125.945 1.736 . . . . 0.0 112.0 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 33.2 m -46.6 -41.53 14.69 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 116.319 -1.801 . . . . 0.0 111.423 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -50.37 -28.98 8.99 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 121.869 2.122 . . . . 0.0 112.445 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.72 -58.92 1.8 Allowed 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 125.287 1.435 . . . . 0.0 109.541 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.02 -38.09 78.45 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.463 1.105 . . . . 0.0 112.315 -168.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.4 m -61.09 114.8 11.57 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.09 137.4 21.47 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 122.14 1.893 . . . . 0.0 107.359 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -145.87 -176.75 5.26 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.515 0.674 . . . . 0.0 110.794 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -119.1 176.4 5.32 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.807 1.643 . . . . 0.0 107.358 162.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -3.11 11.95 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.887 0.875 . . . . 0.0 112.599 -171.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.57 97.37 0.78 Allowed 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 166.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -59.59 -22.16 61.38 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.847 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 18.5 m -55.87 -53.51 55.91 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 118.093 -0.956 . . . . 0.0 109.148 168.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.7 mm -67.73 -48.07 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 C-N-CA 125.738 1.615 . . . . 0.0 110.957 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -50.38 -60.24 3.2 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 118.703 0.683 . . . . 0.0 110.72 175.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.7 m -64.34 -31.29 72.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.319 0.963 . . . . 0.0 111.382 -177.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -54.81 31.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.729 1.212 . . . . 0.0 110.122 171.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.27 -45.22 95.67 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.644 -0.983 . . . . 0.0 110.644 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.1 t -57.82 -47.38 86.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 123.641 0.777 . . . . 0.0 109.371 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.8 95.09 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.856 -0.528 . . . . 0.0 111.012 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.1 m -72.43 -33.54 67.17 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 117.885 -1.055 . . . . 0.0 112.118 -173.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.5 p -67.52 -54.29 21.32 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.55 1.523 . . . . 0.0 108.585 170.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.422 ' CE1' HG23 ' A' ' 94' ' ' VAL . 80.7 t80 -51.74 -47.93 63.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.924 1.29 . . . . 0.0 112.412 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -49.23 -50.65 37.55 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.458 1.027 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.53 68.33 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -70.6 -41.08 72.79 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.275 1.03 . . . . 0.0 110.535 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 8.0 mm -57.93 -39.59 72.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.736 0.814 . . . . 0.0 109.128 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -63.48 -39.93 95.75 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.224 0.609 . . . . 0.0 111.402 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -66.66 -35.19 79.56 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.772 -0.58 . . . . 0.0 111.024 176.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.82 -11.15 59.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.778 1.231 . . . . 0.0 111.36 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 66.54 22.85 10.52 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 128.543 2.737 . . . . 0.0 112.67 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -82.25 29.09 0.43 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.267 -1.521 . . . . 0.0 113.749 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 117.804 -1.093 . . . . 0.0 109.183 160.281 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 . . . . . 0 N--CA 1.469 0.484 0 CA-C-O 119.353 -0.356 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -51.47 -52.17 48.76 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.042 0.937 . . . . 0.0 110.54 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.1 t -58.72 -46.52 90.56 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 124.037 0.935 . . . . 0.0 109.837 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 tpt -64.69 -36.47 84.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 119.468 1.031 . . . . 0.0 110.751 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -66.78 -47.67 71.41 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.386 1.074 . . . . 0.0 110.043 171.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -63.24 -32.49 73.9 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 125.244 1.417 . . . . 0.0 112.586 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.06 -49.92 76.05 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.568 1.147 . . . . 0.0 108.021 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.9 m -62.83 -30.87 71.81 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -66.13 -49.59 66.92 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -81.83 -29.17 32.73 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.819 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.24 -55.62 32.68 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.955 0.902 . . . . 0.0 108.736 170.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.81 34.92 1.42 Allowed Glycine 0 CA--C 1.525 0.7 0 CA-C-O 118.686 -1.063 . . . . 0.0 113.611 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -66.01 -72.98 0.14 Allowed 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 119.753 1.776 . . . . 0.0 108.209 166.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.9 26.26 0.06 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.21 1.404 . . . . 0.0 114.205 -169.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.58 -48.03 76.49 Favored 'General case' 0 C--O 1.223 -0.291 0 O-C-N 120.515 -1.365 . . . . 0.0 110.122 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -27.15 69.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.636 1.107 . . . . 0.0 111.174 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.23 -57.29 7.9 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 172.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.2 m -55.41 -37.78 68.07 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.855 0.862 . . . . 0.0 110.987 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -57.26 -59.32 5.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.424 1.489 . . . . 0.0 110.507 175.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -45.46 88.37 Favored 'General case' 0 N--CA 1.422 -1.874 0 C-N-CA 125.246 1.419 . . . . 0.0 109.263 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -43.02 98.76 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.264 1.026 . . . . 0.0 111.487 -173.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 45.3 mtp -112.1 -1.84 15.18 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 124.108 0.963 . . . . 0.0 111.746 -164.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.1 m 51.63 86.05 0.04 OUTLIER 'General case' 0 C--O 1.237 0.425 0 C-N-CA 126.697 1.999 . . . . 0.0 110.157 -163.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.33 143.38 48.41 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 123.296 0.638 . . . . 0.0 109.583 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -81.34 161.91 23.63 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.084 1.354 . . . . 0.0 111.902 -167.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.35 -15.68 63.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.14 -0.975 . . . . 0.0 111.547 168.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.59 -16.58 26.51 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.534 -0.746 . . . . 0.0 112.996 168.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.66 -33.46 8.45 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 120.038 1.29 . . . . 0.0 110.791 168.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -68.08 -29.44 68.39 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.551 1.541 . . . . 0.0 109.014 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.7 -44.16 87.0 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.092 1.757 . . . . 0.0 111.869 163.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -63.04 -60.27 3.67 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 118.854 0.752 . . . . 0.0 109.179 -176.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -54.76 -25.86 30.56 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.127 1.771 . . . . 0.0 113.156 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -77.36 -57.66 3.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.357 0.663 . . . . 0.0 110.733 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -79.73 -0.02 32.47 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.714 1.205 . . . . 0.0 111.83 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -49.04 -44.57 41.74 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.201 1.4 . . . . 0.0 111.142 -167.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -83.15 29.79 0.47 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.599 1.56 . . . . 0.0 114.399 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -168.34 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.086 -1.634 . . . . 0.0 108.4 162.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -118.96 23.76 11.22 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.541 -1.35 . . . . 0.0 113.685 -168.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.97 30.35 0.03 OUTLIER Glycine 0 CA--C 1.523 0.564 0 C-N-CA 125.349 1.452 . . . . 0.0 110.298 -176.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.41 126.42 28.2 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -94.42 138.66 32.09 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 122.149 0.976 . . . . 0.0 110.799 165.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.53 HG22 ' CD1' ' A' ' 112' ' ' LEU . 33.0 mt -106.78 115.71 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 104.234 -2.506 . . . . 0.0 104.234 -178.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -126.61 -14.06 5.82 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.698 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -68.65 120.66 14.99 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.256 0.935 . . . . 0.0 109.444 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -54.33 -30.8 52.57 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.68 0.792 . . . . 0.0 109.868 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.63 -38.01 89.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.925 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 p -68.23 -44.72 75.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.445 1.02 . . . . 0.0 108.904 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.462 ' HA3' ' HB2' ' A' ' 112' ' ' LEU . . . -51.8 -46.0 54.9 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.334 0.968 . . . . 0.0 112.175 177.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.457 ' SG ' ' HE3' ' A' ' 53' ' ' MET . 0.0 OUTLIER -74.89 -33.9 62.12 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.542 177.378 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.25 77.12 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.837 1.199 . . . . 0.0 109.75 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.1 mt -53.83 -51.5 44.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.485 1.514 . . . . 0.0 108.812 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.457 ' HE3' ' SG ' ' A' ' 50' ' ' CYS . 5.7 ttm -57.62 -44.45 85.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.148 0.579 . . . . 0.0 112.221 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.1 t -60.37 -48.13 83.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.546 -0.721 . . . . 0.0 109.985 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.41 -41.45 84.98 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.197 0.599 . . . . 0.0 110.301 176.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.3 m -56.98 -51.68 68.25 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.055 0.843 . . . . 0.0 111.645 172.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 m -50.34 -49.11 54.97 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.451 1.478 . . . . 0.0 111.26 171.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -66.69 -10.97 52.02 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.547 -0.739 . . . . 0.0 112.541 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 mt -114.76 19.56 15.86 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.654 1.181 . . . . 0.0 110.361 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.5 t30 47.49 48.39 16.78 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 127.418 2.287 . . . . 0.0 109.843 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -97.96 10.13 41.05 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.284 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--O 1.235 0.335 0 CA-C-N 120.149 1.341 . . . . 0.0 108.269 170.381 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 120.63 0.252 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -76.66 84.68 3.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.969 0.908 . . . . 0.0 109.17 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -56.09 -33.94 65.55 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.053 1.341 . . . . 0.0 113.024 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.65 -62.44 6.36 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -66.37 -24.3 66.47 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 124.21 1.004 . . . . 0.0 112.626 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.72 -51.16 44.48 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.922 1.289 . . . . 0.0 110.7 172.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.7 ttm -62.93 -36.75 84.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.063 0.545 . . . . 0.0 111.064 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -46.22 89.82 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 118.87 0.759 . . . . 0.0 109.967 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -56.49 -40.14 74.45 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.856 0.462 . . . . 0.0 111.026 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.99 -56.28 16.26 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.664 0.786 . . . . 0.0 110.659 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -29.24 69.64 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.466 -0.771 . . . . 0.0 111.984 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -54.86 -42.35 71.92 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 125.391 1.477 . . . . 0.0 111.414 170.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -78.66 -5.13 52.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.255 0.622 . . . . 0.0 112.174 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.32 28.51 57.82 Favored Glycine 0 CA--C 1.524 0.602 0 O-C-N 121.056 -1.027 . . . . 0.0 111.748 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 140.15 58.25 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.46 1.13 . . . . 0.0 108.822 165.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.5 162.34 15.53 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 123.493 0.495 . . . . 0.0 109.858 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.17 -53.96 50.43 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 118.775 -0.631 . . . . 0.0 111.454 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.8 m -62.88 -34.58 77.7 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 118.684 0.675 . . . . 0.0 110.803 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.404 ' O ' HD22 ' A' ' 90' ' ' LEU . 6.1 ttt -59.89 -58.18 9.66 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.46 74.26 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.548 -0.72 . . . . 0.0 111.752 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -61.04 -46.19 91.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 117.89 -1.052 . . . . 0.0 109.151 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -57.55 -54.06 51.15 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.427 1.491 . . . . 0.0 111.31 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.404 HD22 ' O ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -55.52 -45.06 77.17 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 120.766 1.621 . . . . 0.0 112.642 178.707 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.45 -43.14 87.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 CA-C-N 119.909 1.231 . . . . 0.0 109.85 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.3 -43.82 79.29 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 121.108 1.776 . . . . 0.0 111.127 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.52 -48.39 35.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.884 1.274 . . . . 0.0 109.733 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.459 HG23 ' CE1' ' A' ' 118' ' ' PHE . 41.1 t -58.9 -59.89 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 119.82 1.191 . . . . 0.0 108.811 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -53.96 -25.4 20.52 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.336 1.855 . . . . 0.0 109.821 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -76.19 -62.43 2.6 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 126.64 2.067 . . . . 0.0 111.568 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.58 -29.64 64.62 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 116.434 -1.746 . . . . 0.0 110.296 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -49.29 -27.88 4.26 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 121.951 2.16 . . . . 0.0 113.522 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 -37.52 4.43 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.222 1.009 . . . . 0.0 111.318 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 m -68.75 -22.75 64.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.625 1.17 . . . . 0.0 113.561 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.5 m -91.81 116.39 66.37 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 118.595 0.634 . . . . 0.0 110.117 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.99 133.64 21.93 Favored 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 122.718 2.279 . . . . 0.0 109.052 174.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -161.42 176.73 10.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 129.098 2.959 . . . . 0.0 107.108 170.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.48 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 0.8 OUTLIER -74.02 -169.82 0.82 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.296 0.569 . . . . 0.0 109.706 172.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.8 -3.43 18.84 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.677 0.791 . . . . 0.0 112.8 162.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.48 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 50.2 t0 -71.06 93.56 1.04 Allowed 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -32.65 37.57 Favored 'General case' 0 C--O 1.227 -0.098 0 C-N-CA 124.896 1.279 . . . . 0.0 110.663 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 22.5 m -60.12 -54.73 42.5 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 119.474 1.034 . . . . 0.0 109.622 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.5 mt -64.91 -41.16 91.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 125.183 1.393 . . . . 0.0 109.685 -173.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -57.48 -61.62 2.36 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.082 1.753 . . . . 0.0 111.945 172.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.0 m -59.59 -34.03 72.21 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.848 1.204 . . . . 0.0 111.666 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.53 ' CD1' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -53.2 -50.89 63.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.074 0.95 . . . . 0.0 110.104 169.672 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.66 -53.43 43.7 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.0 t -52.62 -47.2 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.767 1.227 . . . . 0.0 109.474 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.21 -31.31 71.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.33 -0.856 . . . . 0.0 112.969 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 25.5 m -79.17 -48.71 13.77 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.293 1.037 . . . . 0.0 110.737 -175.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 8.8 p -59.77 -43.23 94.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.005 0.821 . . . . 0.0 109.991 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.459 ' CE1' HG23 ' A' ' 94' ' ' VAL . 89.1 t80 -59.39 -46.66 88.07 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.546 1.138 . . . . 0.0 110.817 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -48.1 -51.61 23.88 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.195 0.907 . . . . 0.0 111.083 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.62 -33.1 71.08 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.49 -43.96 95.76 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 120.838 -1.164 . . . . 0.0 109.297 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.9 mm -57.34 -42.43 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 119.012 0.824 . . . . 0.0 110.342 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -57.1 -52.17 66.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.695 0.398 . . . . 0.0 110.334 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -58.93 -46.34 88.2 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.311 -0.868 . . . . 0.0 112.168 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.05 -13.75 29.21 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.748 1.219 . . . . 0.0 110.62 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 60.66 50.6 5.51 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 128.859 2.864 . . . . 0.0 110.622 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -110.03 25.48 11.74 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.284 1.434 . . . . 0.0 111.281 -174.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.942 0 O-C-N 121.201 -0.937 . . . . 0.0 109.12 172.396 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -49.36 66.86 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 124.543 1.137 . . . . 0.0 110.664 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -65.46 -31.93 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.719 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -48.85 79.92 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.745 1.611 . . . . 0.0 109.212 174.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -56.49 -50.16 72.59 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.542 1.137 . . . . 0.0 110.247 176.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -65.45 -43.62 89.8 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.508 0.723 . . . . 0.0 112.066 -177.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.1 mt -59.33 -52.88 63.73 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 124.844 1.258 . . . . 0.0 108.753 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 p -66.41 -22.84 66.23 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.299 0.5 . . . . 0.0 112.238 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -73.23 -57.33 4.09 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 124.529 1.132 . . . . 0.0 108.098 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -64.28 -40.13 95.33 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.921 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HA ' HD11 ' A' ' 59' ' ' LEU . 2.3 t80 -52.31 -48.14 65.58 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.998 0.919 . . . . 0.0 110.353 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.16 20.34 17.16 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-O 118.942 -0.921 . . . . 0.0 114.471 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -55.48 -65.35 0.61 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.817 1.809 . . . . 0.0 110.184 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.85 22.02 0.07 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.141 1.376 . . . . 0.0 112.676 -178.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 tp -54.43 -51.09 66.05 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 119.857 1.208 . . . . 0.0 110.414 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -72.49 -34.69 67.84 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.526 -172.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -55.8 -58.34 8.25 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 170.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.6 m -55.94 -33.93 65.18 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.689 0.796 . . . . 0.0 113.134 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -60.91 -60.4 3.85 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -65.56 -39.3 91.52 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 118.955 0.798 . . . . 0.0 109.526 -174.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.55 -44.19 69.04 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.799 1.24 . . . . 0.0 112.447 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.0 mtm -112.77 8.03 18.72 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.316 1.046 . . . . 0.0 112.175 -172.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m 47.0 75.12 0.13 Allowed 'General case' 0 C--O 1.234 0.265 0 C-N-CA 126.123 1.769 . . . . 0.0 111.888 -166.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -112.08 164.32 13.28 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.7 p -104.14 173.25 6.38 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -157.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -28.85 64.71 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 115.617 -2.135 . . . . 0.0 110.367 171.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.37 10.51 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 124.903 1.281 . . . . 0.0 113.367 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.513 HG22 HG22 ' A' ' 48' ' ' THR . 5.7 pt -65.47 -20.55 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 118.313 -0.851 . . . . 0.0 112.103 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -60.76 -34.47 74.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 120.301 1.41 . . . . 0.0 110.211 167.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -35.06 66.95 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -174.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.406 ' OD2' HG23 ' A' ' 43' ' ' ILE . 5.0 t0 -60.72 -63.47 1.29 Allowed 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 119.201 0.91 . . . . 0.0 108.931 169.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -63.53 -29.81 71.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -168.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -66.68 -58.94 4.09 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.465 1.506 . . . . 0.0 110.439 167.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -80.72 9.79 5.76 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.819 1.248 . . . . 0.0 112.305 -175.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -58.11 -34.9 70.69 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 119.975 -1.703 . . . . 0.0 108.245 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -101.79 19.79 17.55 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.45 2.3 . . . . 0.0 112.251 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -70.61 176.39 4.17 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-O 122.964 1.364 . . . . 0.0 109.686 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.06 32.28 0.14 Allowed 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 127.811 2.444 . . . . 0.0 116.103 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.01 2.76 4.61 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.32 0.962 . . . . 0.0 112.828 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -46.07 150.57 0.57 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.368 1.867 . . . . 0.0 112.538 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -111.19 136.18 50.64 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 122.194 0.997 . . . . 0.0 112.872 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.406 HG23 ' OD2' ' A' ' 32' ' ' ASP . 90.8 mt -107.45 104.43 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -129.67 2.3 4.96 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.796 0.725 . . . . 0.0 112.915 174.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -65.24 125.08 23.91 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.718 0.807 . . . . 0.0 109.821 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -67.03 -29.24 68.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.749 -1.22 . . . . 0.0 109.518 171.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -61.46 -37.26 82.92 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.513 HG22 HG22 ' A' ' 29' ' ' ILE . 44.4 p -73.82 -39.99 63.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.2 -45.82 43.49 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.887 1.232 . . . . 0.0 111.444 171.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -36.66 69.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 178.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.22 86.05 Favored 'General case' 0 CA--C 1.526 0.029 0 CA-C-N 118.995 0.816 . . . . 0.0 109.862 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.434 HD13 ' CB ' ' A' ' 115' ' ' ALA . 55.8 mt -51.19 -55.1 8.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.06 -41.15 96.07 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -176.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.8 t -59.09 -46.59 87.91 Favored 'General case' 0 CA--C 1.523 -0.066 0 O-C-N 121.669 -0.644 . . . . 0.0 110.304 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.3 -38.76 92.19 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 117.535 -1.221 . . . . 0.0 109.275 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -52.4 -51.68 57.8 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 120.642 1.565 . . . . 0.0 110.92 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 m -52.0 -59.79 3.94 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.693 0.678 . . . . 0.0 110.685 172.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -66.33 -16.56 64.15 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -170.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 12' ' ' PHE . 49.2 mt -86.72 -2.86 58.87 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 120.927 -1.108 . . . . 0.0 112.275 175.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 42.25 81.76 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.543 1.937 . . . . 0.0 109.542 -151.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.9 mtp -122.97 6.65 9.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.773 169.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.8 mt . . . . . 0 N--CA 1.454 -0.234 0 CA-C-N 119.256 0.934 . . . . 0.0 108.807 177.103 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 121.002 0.429 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -84.66 108.6 17.47 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.592 0.757 . . . . 0.0 110.268 173.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -58.66 -36.21 73.8 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 120.54 -1.35 . . . . 0.0 113.96 -174.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.78 -67.28 2.12 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -56.92 -33.55 67.08 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -171.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.11 78.05 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.011 0.924 . . . . 0.0 109.938 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 42.0 ttm -69.55 -29.92 67.6 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 121.842 -0.536 . . . . 0.0 112.092 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.25 -42.11 99.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.598 1.09 . . . . 0.0 109.406 170.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -58.69 -40.09 82.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.25 0.932 . . . . 0.0 110.255 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.6 -59.16 4.61 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 123.726 0.81 . . . . 0.0 111.207 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -35.39 80.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.688 -0.672 . . . . 0.0 110.241 -175.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -46.47 -55.82 6.89 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.627 1.171 . . . . 0.0 111.147 167.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -75.26 -1.62 24.33 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.184 -0.912 . . . . 0.0 112.89 -174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.55 10.18 44.83 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 119.805 1.184 . . . . 0.0 113.078 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.98 149.07 50.44 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.567 1.184 . . . . 0.0 111.261 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.76 165.85 23.12 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 176.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.29 -54.33 18.23 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.515 -0.74 . . . . 0.0 111.391 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 61.2 m -58.51 -38.01 76.81 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 118.729 0.695 . . . . 0.0 109.76 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.623 ' O ' HD22 ' A' ' 90' ' ' LEU . 9.6 ttt -57.54 -60.32 3.83 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.734 0.814 . . . . 0.0 108.91 173.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.47 74.11 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 119.044 -0.503 . . . . 0.0 111.749 -171.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.97 -39.95 68.97 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 117.05 -1.452 . . . . 0.0 110.536 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -49.9 -57.38 7.57 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 120.113 1.324 . . . . 0.0 109.505 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.623 HD22 ' O ' ' A' ' 86' ' ' MET . 0.4 OUTLIER -54.67 -48.26 72.6 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 117.114 -1.422 . . . . 0.0 112.932 177.724 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.69 -35.15 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 120.034 1.288 . . . . 0.0 111.023 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -64.87 -47.69 76.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 120.366 1.439 . . . . 0.0 109.009 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.3 mt -61.02 -55.64 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 124.17 0.988 . . . . 0.0 108.441 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.7 t -58.16 -52.43 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.437 1.095 . . . . 0.0 109.817 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -62.91 -43.25 99.29 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 -168.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.19 -60.67 7.82 Favored Glycine 0 C--N 1.343 0.942 0 C-N-CA 125.17 1.367 . . . . 0.0 110.271 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.2 m -55.18 -35.48 64.84 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 125.279 1.432 . . . . 0.0 112.713 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.7 -17.65 9.63 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 121.995 2.179 . . . . 0.0 113.118 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -113.03 -46.15 3.12 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.411 1.485 . . . . 0.0 110.678 171.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 m -57.05 -48.35 78.74 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.536 1.534 . . . . 0.0 112.331 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.0 m -62.11 124.17 81.0 Favored Pre-proline 0 N--CA 1.447 -0.6 0 C-N-CA 124.248 1.019 . . . . 0.0 110.31 -175.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.83 148.57 41.22 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.087 2.525 . . . . 0.0 109.872 165.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -151.33 -173.7 4.59 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.276 1.83 . . . . 0.0 108.553 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -109.29 -177.25 3.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 152.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -22.08 9.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 125.456 1.502 . . . . 0.0 113.056 -178.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -61.95 96.26 0.07 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.882 1.273 . . . . 0.0 109.521 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.453 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -48.11 -29.98 4.11 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.696 1.198 . . . . 0.0 111.567 168.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 38.8 m -61.1 -52.47 64.77 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.783 1.174 . . . . 0.0 109.594 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.9 mm -62.06 -49.31 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.671 1.588 . . . . 0.0 108.772 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.453 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 39.4 t90 -49.19 -58.55 4.81 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 125.73 1.612 . . . . 0.0 110.991 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.7 m -62.11 -37.85 86.66 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 119.5 -0.286 . . . . 0.0 111.142 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -46.76 69.12 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.412 1.085 . . . . 0.0 109.766 171.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.33 -49.28 62.03 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 123.978 0.799 . . . . 0.0 111.608 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.55 -44.3 84.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 118.117 0.958 . . . . 0.0 109.589 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.434 ' CB ' HD13 ' A' ' 52' ' ' ILE . . . -65.6 -33.26 75.5 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.615 -1.303 . . . . 0.0 111.751 176.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 m -80.18 -29.82 38.71 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 117.652 -1.166 . . . . 0.0 112.963 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.71 -54.46 31.26 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.903 1.683 . . . . 0.0 107.439 164.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -54.02 -44.11 70.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.847 1.659 . . . . 0.0 112.487 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -43.22 -60.94 1.48 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.818 1.247 . . . . 0.0 109.786 172.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.47 -31.86 68.22 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 123.102 0.251 . . . . 0.0 111.574 -171.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.57 -46.85 74.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.666 1.186 . . . . 0.0 111.152 172.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 13.9 mm -56.0 -42.93 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 120.655 1.57 . . . . 0.0 110.13 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -62.37 -42.91 99.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.35 0.66 . . . . 0.0 110.179 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -44.88 90.47 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 120.327 -1.483 . . . . 0.0 108.791 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.45 -10.7 59.84 Favored 'General case' 0 N--CA 1.438 -1.07 0 O-C-N 124.809 1.318 . . . . 0.0 110.552 -174.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.7 t30 69.77 28.99 4.23 Favored 'General case' 0 C--N 1.342 0.278 0 C-N-CA 127.802 2.441 . . . . 0.0 111.818 -176.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -94.74 42.43 1.09 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.508 1.123 . . . . 0.0 110.891 -173.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 131.169 3.787 . . . . 0.0 104.079 -146.614 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -52.87 -56.36 16.4 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.611 1.164 . . . . 0.0 111.83 -165.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.9 t -69.99 -25.71 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 123.546 0.738 . . . . 0.0 110.509 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -49.66 72.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 119.674 1.124 . . . . 0.0 109.592 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -54.51 -55.91 24.27 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -59.85 -37.16 78.47 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 123.866 0.867 . . . . 0.0 112.618 -173.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.44 -55.11 34.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 124.446 1.098 . . . . 0.0 109.369 174.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 m -62.83 -29.57 70.83 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.53 -46.95 68.19 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.593 1.557 . . . . 0.0 108.158 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.439 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 20.8 m-80 -77.1 -32.36 56.53 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.729 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.53 -49.59 67.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.744 1.218 . . . . 0.0 108.363 167.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.06 7.32 3.26 Favored Glycine 0 CA--C 1.537 1.46 0 CA-C-O 118.377 -1.235 . . . . 0.0 115.847 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HG3' ' HA ' ' A' ' 11' ' ' ASN . 31.9 mttt -65.58 -40.27 92.54 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.599 2.699 . . . . 0.0 111.274 175.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.34 11.08 9.03 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.98 1.264 . . . . 0.0 113.737 -178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.13 -42.96 83.59 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 120.91 -1.119 . . . . 0.0 111.333 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.35 -28.99 65.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.316 0.646 . . . . 0.0 110.677 -172.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.6 -60.66 3.44 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.897 1.279 . . . . 0.0 108.193 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.3 m -54.31 -36.13 63.39 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.955 0.902 . . . . 0.0 110.872 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -61.37 -52.36 64.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 120.432 -1.417 . . . . 0.0 111.058 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 tttm -59.8 -50.15 74.94 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.54 -60.85 2.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.713 0.805 . . . . 0.0 110.862 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.1 mtp -94.58 4.5 53.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.381 0.673 . . . . 0.0 111.274 -161.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.5 m 46.76 87.86 0.02 OUTLIER 'General case' 0 C--O 1.236 0.382 0 C-N-CA 125.481 1.512 . . . . 0.0 109.806 -159.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HB3' HD13 ' A' ' 29' ' ' ILE . 36.1 mt -115.73 143.81 44.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.447 0.567 . . . . 0.0 110.317 173.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -76.78 -171.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 122.868 1.318 . . . . 0.0 112.713 -173.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.13 -9.97 49.04 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 121.086 -1.009 . . . . 0.0 111.868 167.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.91 -24.68 67.6 Favored 'General case' 0 C--O 1.228 -0.057 0 CA-C-N 119.029 0.831 . . . . 0.0 111.287 177.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -72.66 -36.31 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 171.744 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -70.98 -16.87 62.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 123.72 0.808 . . . . 0.0 110.277 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.47 -51.71 11.24 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -55.34 -59.38 4.88 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -58.36 -30.63 66.91 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.63 -1.294 . . . . 0.0 113.699 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -69.83 -42.1 74.07 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.356 0.98 . . . . 0.0 111.277 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -105.18 0.39 27.29 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 125.25 1.42 . . . . 0.0 113.803 -167.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -45.61 -42.83 11.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 129.406 3.082 . . . . 0.0 111.651 -169.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -90.1 45.25 1.25 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.572 1.149 . . . . 0.0 113.112 173.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -81.93 172.44 13.28 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.409 1.084 . . . . 0.0 108.572 166.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -49.79 83.76 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 127.82 2.448 . . . . 0.0 112.069 163.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.63 29.48 7.74 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 117.406 -1.774 . . . . 0.0 115.0 174.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -48.31 147.2 2.4 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 119.819 1.809 . . . . 0.0 108.545 172.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -118.22 133.62 55.73 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 122.255 1.026 . . . . 0.0 109.723 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.3 mt -97.85 124.77 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 104.113 -2.551 . . . . 0.0 104.113 -163.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -124.25 -32.06 3.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -172.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.13 110.16 0.89 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.221 1.009 . . . . 0.0 110.235 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -54.56 -28.23 44.43 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.279 -0.888 . . . . 0.0 111.144 173.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.34 -31.7 73.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 117.495 -1.241 . . . . 0.0 112.38 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -41.3 73.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 120.347 1.431 . . . . 0.0 108.522 -178.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.92 43.36 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.72 1.152 . . . . 0.0 111.613 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -38.03 89.3 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.82 -0.812 . . . . 0.0 113.03 175.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.98 91.89 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.681 0.673 . . . . 0.0 109.976 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.42 -42.03 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.29 1.436 . . . . 0.0 109.562 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -62.07 -47.6 83.94 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.516 0.727 . . . . 0.0 111.064 176.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.33 -48.85 80.0 Favored 'General case' 0 N--CA 1.461 0.106 0 O-C-N 121.914 -0.491 . . . . 0.0 110.648 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.7 mt -54.82 -47.76 73.68 Favored 'General case' 0 C--O 1.227 -0.11 0 C-N-CA 123.823 0.849 . . . . 0.0 109.796 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -47.87 -58.67 4.08 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.887 0.875 . . . . 0.0 111.693 173.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -39.73 91.26 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 119.961 -1.712 . . . . 0.0 111.07 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -58.3 -43.51 88.12 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.421 1.088 . . . . 0.0 109.885 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -79.86 -12.24 59.76 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 126.419 1.888 . . . . 0.0 111.25 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t30 75.93 74.69 0.09 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 129.254 3.022 . . . . 0.0 109.297 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 23.0 mtp -131.12 16.63 5.08 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.665 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 121.024 1.738 . . . . 0.0 107.957 178.628 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.49 HD13 ' CG1' ' A' ' 94' ' ' VAL . 1.6 tt . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -85.56 91.49 8.27 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.403 -0.811 . . . . 0.0 109.922 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -58.92 -36.3 74.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 123.996 0.918 . . . . 0.0 112.874 -173.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.14 -68.82 1.5 Allowed Glycine 0 CA--C 1.528 0.888 0 CA-C-O 119.424 -0.653 . . . . 0.0 111.571 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -51.18 -38.02 49.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.264 1.032 . . . . 0.0 112.473 174.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.72 93.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.076 0.853 . . . . 0.0 111.483 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.5 ttm -68.69 -40.71 79.94 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.177 0.991 . . . . 0.0 110.819 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -49.13 63.68 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.922 1.689 . . . . 0.0 109.459 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.66 -43.5 89.86 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.536 1.134 . . . . 0.0 111.306 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.93 -56.57 19.52 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.225 0.466 . . . . 0.0 110.336 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -29.56 70.85 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.577 0.751 . . . . 0.0 111.813 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -59.16 -40.43 85.57 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.946 1.298 . . . . 0.0 111.28 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -81.11 -17.24 50.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 117.961 0.346 . . . . 0.0 111.298 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.92 20.78 10.91 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.45 1.024 . . . . 0.0 112.714 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.71 147.69 52.97 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.798 1.299 . . . . 0.0 109.345 170.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.96 157.86 37.48 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -177.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -61.25 -49.16 78.23 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.41 1.484 . . . . 0.0 112.736 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -58.59 -43.84 89.65 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.6 ttt -59.31 -56.97 15.34 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.518 0.727 . . . . 0.0 109.303 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.29 68.44 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.193 -0.942 . . . . 0.0 112.729 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -68.98 -40.35 78.86 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 117.794 -1.098 . . . . 0.0 110.616 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -54.28 -48.74 70.89 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.923 1.238 . . . . 0.0 112.229 171.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.9 -54.78 25.4 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.645 1.111 . . . . 0.0 110.461 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.38 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 CA-C-O 117.093 -1.432 . . . . 0.0 109.926 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.01 -43.62 95.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 120.59 1.541 . . . . 0.0 110.617 -175.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.98 -42.51 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.49 ' CG1' HD13 ' A' ' 68' ' ' LEU . 26.7 t -62.81 -54.03 39.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.284 1.034 . . . . 0.0 109.807 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -53.17 -37.7 62.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.578 1.951 . . . . 0.0 109.092 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.69 4.74 27.14 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 127.543 2.497 . . . . 0.0 114.657 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.408 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 16.4 m -132.12 -33.15 1.35 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.728 1.764 . . . . 0.0 111.538 174.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.577 ' OE1' HG11 ' A' ' 114' ' ' VAL . 7.0 mm-40 -55.56 -19.99 11.87 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 121.793 2.088 . . . . 0.0 113.691 -174.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -113.83 -48.53 2.91 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 120.463 -1.398 . . . . 0.0 109.688 171.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.408 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . 37.4 m -50.43 -53.2 31.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.287 2.235 . . . . 0.0 113.165 -176.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.2 m -59.21 123.3 69.15 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 124.653 1.181 . . . . 0.0 110.189 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.44 134.68 21.05 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.677 2.918 . . . . 0.0 110.548 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -148.18 166.1 28.92 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.452 0.701 . . . . 0.0 110.794 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -90.61 -176.62 4.79 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.116 1.767 . . . . 0.0 109.243 162.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -12.57 47.83 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.67 1.188 . . . . 0.0 112.561 -176.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.401 ' HB3' ' H ' ' A' ' 109' ' ' ILE . 0.5 OUTLIER -63.52 97.91 0.16 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 172.06 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -53.06 -26.61 16.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.056 167.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 45.1 m -61.86 -54.28 44.23 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 119.904 1.229 . . . . 0.0 110.512 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.401 ' H ' ' HB3' ' A' ' 106' ' ' ASP . 9.2 mm -65.28 -38.47 82.69 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 C-N-CA 125.073 1.349 . . . . 0.0 108.804 -171.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -50.16 -72.97 0.04 OUTLIER 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 126.234 1.813 . . . . 0.0 110.706 168.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.3 m -59.66 -29.49 68.09 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.451 0.569 . . . . 0.0 111.694 -173.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.42 -57.38 7.07 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.096 0.958 . . . . 0.0 110.419 168.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.16 -33.3 69.18 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-O 118.553 -1.137 . . . . 0.0 112.167 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.577 HG11 ' OE1' ' A' ' 98' ' ' GLU . 47.6 t -67.97 -34.28 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 119.155 1.477 . . . . 0.0 109.452 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.63 -39.89 64.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.711 -1.243 . . . . 0.0 110.362 171.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.1 m -68.03 -42.86 79.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.081 0.855 . . . . 0.0 111.638 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 26.4 p -57.77 -54.18 49.78 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 119.554 1.07 . . . . 0.0 109.344 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.42 -42.74 74.55 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.59 1.956 . . . . 0.0 111.186 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.93 -51.96 64.47 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.251 176.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.52 -41.76 63.75 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.916 0.78 . . . . 0.0 111.167 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -62.07 -43.39 98.94 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 121.409 -0.807 . . . . 0.0 112.349 177.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.04 -41.1 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.385 0.993 . . . . 0.0 110.146 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -58.97 -46.29 88.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -63.37 -43.26 98.13 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.145 -0.972 . . . . 0.0 111.136 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.08 -15.3 63.63 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.927 1.291 . . . . 0.0 112.61 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.61 41.35 2.32 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.042 1.337 . . . . 0.0 110.608 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 23.7 m0 -113.11 29.88 7.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.196 0.999 . . . . 0.0 110.709 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 C-N-CA 125.461 1.504 . . . . 0.0 109.193 178.685 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.222 -0.344 0 N-CA-C 111.525 0.195 . . . . 0.0 111.525 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -41.75 -55.6 2.95 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 128.11 2.564 . . . . 0.0 112.916 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -85.73 -34.84 8.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 O-C-N 122.101 -0.375 . . . . 0.0 110.75 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -43.96 74.37 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.069 0.948 . . . . 0.0 111.607 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -57.34 -53.45 57.93 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.26 1.024 . . . . 0.0 110.455 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -62.23 -37.79 86.72 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.533 1.133 . . . . 0.0 112.02 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.93 -54.39 47.43 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 124.275 1.03 . . . . 0.0 108.887 176.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -71.32 -9.85 58.8 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.98 -0.533 . . . . 0.0 112.101 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -84.92 -53.94 4.99 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.525 1.13 . . . . 0.0 109.325 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.24 -27.97 69.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.677 1.191 . . . . 0.0 111.369 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -53.68 -45.88 70.46 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.603 0.761 . . . . 0.0 110.699 168.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.35 7.27 57.72 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-O 118.397 -1.224 . . . . 0.0 115.011 -176.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -58.84 -29.74 67.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 120.125 1.963 . . . . 0.0 112.743 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.65 14.04 33.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.301 1.04 . . . . 0.0 113.185 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.55 -51.41 69.56 Favored 'General case' 0 C--O 1.228 -0.077 0 O-C-N 121.091 -1.006 . . . . 0.0 111.346 -173.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -66.4 -28.5 68.67 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.24 1.016 . . . . 0.0 111.065 -175.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.68 -54.47 27.05 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -31.41 70.78 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -55.47 -48.98 73.69 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 121.642 -0.661 . . . . 0.0 109.385 170.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -75.58 -20.37 58.66 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.35 0.977 . . . . 0.0 113.356 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.2 -71.48 0.26 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.334 0.97 . . . . 0.0 109.005 172.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.5 mtm -86.78 -0.8 57.04 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.238 1.415 . . . . 0.0 110.984 -165.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 m 61.19 68.64 0.72 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.82 2.448 . . . . 0.0 112.546 -176.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.8 mt -110.27 151.13 27.74 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -96.19 174.08 7.08 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.448 0.699 . . . . 0.0 110.208 -155.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -15.71 62.92 Favored 'General case' 0 N--CA 1.439 -0.996 0 O-C-N 120.825 -1.172 . . . . 0.0 111.657 172.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.27 -34.39 73.68 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 118.918 -0.563 . . . . 0.0 110.195 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.462 ' HB ' HG22 ' A' ' 48' ' ' THR . 3.7 pt -67.8 -29.6 45.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 119.265 0.939 . . . . 0.0 111.277 178.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -61.39 -33.65 74.02 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 119.836 1.198 . . . . 0.0 108.972 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -45.09 74.56 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 175.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.441 ' CB ' HG21 ' A' ' 48' ' ' THR . 0.9 OUTLIER -62.1 -47.45 84.59 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 119.404 1.002 . . . . 0.0 109.777 -175.502 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -65.12 -44.7 87.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.876 1.27 . . . . 0.0 110.898 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -63.18 -54.35 38.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 119.025 0.829 . . . . 0.0 110.069 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -76.49 1.04 17.71 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 117.72 -1.133 . . . . 0.0 112.064 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -51.13 -41.81 60.32 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 121.533 1.969 . . . . 0.0 110.495 -172.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -82.61 8.07 12.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.354 1.462 . . . . 0.0 114.638 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -61.44 166.51 3.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 120.553 1.524 . . . . 0.0 108.966 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.1 40.33 0.91 Allowed 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.725 1.21 . . . . 0.0 113.811 -169.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.83 12.54 0.47 Allowed Glycine 0 CA--C 1.525 0.696 0 CA-C-O 118.602 -1.11 . . . . 0.0 113.849 171.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -55.23 140.9 37.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.47 1.135 . . . . 0.0 109.938 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.03 134.63 50.65 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.093 0.957 . . . . 0.0 110.619 171.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.5 mt -96.69 112.71 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 -176.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -128.17 4.48 5.82 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 174.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.524 ' HB3' HG23 ' A' ' 48' ' ' THR . 2.1 m-20 -65.41 106.29 1.36 Allowed 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 166.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -57.71 -27.62 63.1 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.018 -1.051 . . . . 0.0 109.825 166.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.68 -36.02 71.38 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.967 174.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.524 HG23 ' HB3' ' A' ' 45' ' ' ASN . 15.3 p -69.7 -40.5 76.28 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 120.323 1.419 . . . . 0.0 108.247 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.91 -47.8 52.94 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 118.962 0.801 . . . . 0.0 111.24 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.56 -35.65 73.2 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.876 -0.779 . . . . 0.0 112.928 176.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.24 -50.9 71.17 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.165 0.893 . . . . 0.0 110.766 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.92 -46.31 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 127.465 2.306 . . . . 0.0 108.483 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 10.8 tmm? -60.42 -51.26 70.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.757 0.708 . . . . 0.0 110.805 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.9 t -51.22 -51.8 50.48 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 123.363 0.665 . . . . 0.0 110.078 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.8 mt -53.82 -54.4 38.9 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.347 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.8 m -52.53 -48.77 65.87 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 119.751 1.16 . . . . 0.0 112.127 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -41.96 89.96 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.025 0.83 . . . . 0.0 111.45 176.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -60.18 -35.17 74.77 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.812 -1.18 . . . . 0.0 111.086 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -76.17 -4.54 42.22 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.064 0.847 . . . . 0.0 112.395 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t30 62.54 41.67 9.4 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 129.114 2.966 . . . . 0.0 112.342 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.6 mtt -88.5 -3.32 58.84 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.971 -1.081 . . . . 0.0 112.821 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 69.8 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 171.605 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 tp . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -76.63 91.91 3.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 121.281 -0.887 . . . . 0.0 109.172 165.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -53.65 -39.06 64.71 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.049 0.939 . . . . 0.0 111.9 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.88 -70.29 1.02 Allowed Glycine 0 CA--C 1.523 0.58 0 C-N-CA 126.245 1.879 . . . . 0.0 111.734 171.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.9 -43.05 65.91 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.442 1.121 . . . . 0.0 111.136 -177.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.65 -52.94 58.35 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.411 1.084 . . . . 0.0 111.275 174.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.5 ttm -68.77 -38.01 79.74 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.912 -0.492 . . . . 0.0 111.351 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.48 -53.93 51.72 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.598 1.159 . . . . 0.0 108.439 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -53.76 -45.97 70.8 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.531 1.133 . . . . 0.0 110.804 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.45 -65.54 0.61 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.476 0.311 . . . . 0.0 110.231 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 84' ' ' GLU . 1.7 mptm? -54.95 -41.89 71.67 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.599 0.76 . . . . 0.0 110.058 -175.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -50.29 -47.06 55.65 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 127.43 2.292 . . . . 0.0 113.812 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -73.47 -18.31 61.13 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.541 -0.724 . . . . 0.0 111.371 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.97 4.11 8.01 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.125 1.345 . . . . 0.0 112.617 -173.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.21 153.04 35.82 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 119.882 1.841 . . . . 0.0 110.513 -173.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.27 156.44 39.11 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.665 171.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 0.7 OUTLIER -48.68 -64.8 0.7 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 129.509 3.124 . . . . 0.0 112.259 173.62 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.6 m -72.14 -24.59 61.48 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 120.929 -1.107 . . . . 0.0 110.094 -174.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -45.82 87.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.633 -0.667 . . . . 0.0 109.45 172.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.59 96.81 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 118.713 -0.66 . . . . 0.0 111.065 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -69.09 -35.23 76.27 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.862 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -58.51 -50.68 72.87 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 125.192 1.397 . . . . 0.0 110.16 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.4 mt -51.33 -51.7 51.99 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 118.333 -0.841 . . . . 0.0 109.449 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.53 -44.03 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-O 117.642 -1.171 . . . . 0.0 110.255 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -59.06 -30.68 68.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 120.613 1.551 . . . . 0.0 112.152 -174.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 40.5 mt -91.04 -43.91 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.872 1.269 . . . . 0.0 110.0 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.2 t -62.37 -54.63 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 119.938 1.244 . . . . 0.0 108.518 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -57.83 -39.45 77.68 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.51 1.124 . . . . 0.0 109.157 173.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.49 -16.71 55.56 Favored Glycine 0 C--N 1.341 0.814 0 C-N-CA 126.737 2.113 . . . . 0.0 113.85 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 52.1 m -109.34 -40.12 5.01 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 116.332 -1.794 . . . . 0.0 111.069 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -49.5 -29.09 6.18 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 122.409 2.368 . . . . 0.0 114.622 -170.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.48 -4.89 9.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.274 1.03 . . . . 0.0 112.604 178.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.4 t -87.17 -51.27 6.08 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.015 -1.053 . . . . 0.0 108.837 172.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.3 m -57.21 116.41 13.55 Favored Pre-proline 0 N--CA 1.443 -0.798 0 C-N-CA 127.484 2.314 . . . . 0.0 109.527 -175.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.64 129.2 8.18 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.939 2.426 . . . . 0.0 109.322 174.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.06 177.57 10.66 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.077 1.751 . . . . 0.0 108.765 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.513 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 1.1 m-20 -81.0 -168.48 1.82 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.572 1.149 . . . . 0.0 110.174 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.85 -16.2 57.62 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.441 0.697 . . . . 0.0 111.521 159.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.513 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 9.0 t0 -69.62 96.12 0.92 Allowed 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 121.775 -0.578 . . . . 0.0 110.348 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -52.13 -32.75 36.86 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.263 1.425 . . . . 0.0 111.845 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.0 m -63.84 -52.72 58.84 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.748 1.158 . . . . 0.0 108.894 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 11.2 mm -57.8 -49.19 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.702 1.201 . . . . 0.0 109.59 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -50.18 -65.78 0.5 Allowed 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 126.782 2.033 . . . . 0.0 110.806 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.4 m -59.86 -33.53 71.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.893 0.769 . . . . 0.0 112.155 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.73 -52.91 62.29 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.684 1.129 . . . . 0.0 109.225 170.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.18 -45.61 93.82 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.852 0.751 . . . . 0.0 112.115 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.4 t -62.76 -27.5 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 125.265 1.426 . . . . 0.0 110.257 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -77.02 -45.92 25.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 120.615 -1.303 . . . . 0.0 110.365 172.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.6 m -64.03 -33.8 76.56 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.068 1.303 . . . . 0.0 112.782 -173.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 p -70.67 -51.1 30.01 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.582 1.083 . . . . 0.0 109.687 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -54.92 -45.93 74.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.819 1.648 . . . . 0.0 110.896 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -45.88 -59.57 2.74 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 126.23 1.812 . . . . 0.0 110.256 172.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.57 -39.15 48.75 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.513 0.597 . . . . 0.0 111.889 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.24 -41.75 96.84 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.302 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 16.1 mm -60.11 -44.66 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 120.527 1.512 . . . . 0.0 110.365 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -59.03 -36.99 75.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.216 0.606 . . . . 0.0 110.588 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -78.0 -46.13 21.88 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.059 0.944 . . . . 0.0 111.254 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.74 -14.72 34.64 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.59 1.556 . . . . 0.0 111.305 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 62.51 42.62 8.53 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.763 1.625 . . . . 0.0 110.761 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -100.5 11.49 39.35 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.366 163.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.266 0 N-CA-C 106.317 -1.735 . . . . 0.0 106.317 151.834 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 118.947 -0.549 . . . . 0.0 112.467 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -53.11 -52.28 59.15 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.17 0.986 . . . . 0.0 110.845 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -69.78 -47.8 68.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.148 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 tpt -47.86 -52.98 17.1 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.357 1.463 . . . . 0.0 111.248 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.03 -47.74 77.28 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.716 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -67.88 -35.42 78.48 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.617 1.167 . . . . 0.0 112.457 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.45 -54.98 39.0 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 170.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 t -64.54 1.21 0.86 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.956 1.703 . . . . 0.0 113.089 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 tt -104.29 -53.82 2.65 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.197 1.799 . . . . 0.0 107.855 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -61.13 -36.36 79.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.128 1.371 . . . . 0.0 111.453 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.505 ' HA ' HD11 ' A' ' 59' ' ' LEU . 52.4 t80 -47.51 -49.57 25.65 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.516 1.127 . . . . 0.0 110.937 176.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.29 11.38 63.39 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.974 -0.904 . . . . 0.0 114.588 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -57.04 -41.96 79.62 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 120.019 1.91 . . . . 0.0 112.911 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.59 20.09 12.41 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.09 0.956 . . . . 0.0 112.365 -176.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tp -52.44 -51.61 58.32 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.31 1.044 . . . . 0.0 110.428 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.32 -33.88 76.19 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 118.531 0.605 . . . . 0.0 110.512 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.63 -59.68 5.01 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -51.92 -42.03 62.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.407 1.083 . . . . 0.0 111.522 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -57.72 -61.65 2.37 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.05 -1.032 . . . . 0.0 109.701 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -61.21 -41.16 96.37 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.81 0.844 . . . . 0.0 110.479 -173.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -57.24 -50.34 73.2 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.792 2.037 . . . . 0.0 111.815 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.6 mtp -99.51 -4.94 30.15 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.716 0.806 . . . . 0.0 111.715 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 83.2 m 40.17 83.27 0.02 OUTLIER 'General case' 0 C--O 1.24 0.586 0 CA-C-O 123.116 1.436 . . . . 0.0 111.151 -150.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.2 mt -97.36 -175.72 3.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 113.786 -1.552 . . . . 0.0 106.836 154.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.3 p -107.35 176.25 5.22 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 125.984 1.714 . . . . 0.0 109.007 -169.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.33 -9.61 35.35 Favored 'General case' 0 N--CA 1.441 -0.924 0 O-C-N 121.453 -0.78 . . . . 0.0 111.788 162.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.35 71.98 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.792 -0.568 . . . . 0.0 112.18 172.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.7 pt -61.82 -26.92 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-N 119.354 0.979 . . . . 0.0 111.639 170.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -61.46 -31.33 71.29 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -46.03 38.68 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.151 0.98 . . . . 0.0 111.611 174.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CB ' HG21 ' A' ' 48' ' ' THR . 20.2 m-20 -61.13 -17.17 51.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.751 0.82 . . . . 0.0 111.127 176.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -95.79 -47.91 5.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 126.03 1.732 . . . . 0.0 112.345 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -61.54 -34.74 76.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.493 1.517 . . . . 0.0 110.908 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -104.76 13.9 30.56 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.761 1.224 . . . . 0.0 111.803 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -55.06 -46.43 75.4 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.823 1.192 . . . . 0.0 110.58 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.41 ' CH2' HG21 ' A' ' 122' ' ' ILE . 49.8 m95 -88.14 44.2 1.18 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.423 1.489 . . . . 0.0 111.397 177.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 175.1 9.99 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 120.571 -1.331 . . . . 0.0 108.002 158.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -99.51 24.86 7.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.2 1.0 . . . . 0.0 113.687 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.47 12.99 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.34 -0.7 . . . . 0.0 114.347 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -75.21 123.74 25.81 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 118.939 1.369 . . . . 0.0 111.491 -170.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -95.41 134.69 37.94 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.256 1.022 . . . . 0.0 111.27 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 55.1 mt -113.07 108.52 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -170.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -130.33 1.51 4.62 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.529 ' HB3' HG23 ' A' ' 48' ' ' THR . 52.2 t-20 -63.95 106.57 1.05 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -55.43 -27.01 45.25 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.147 -0.971 . . . . 0.0 110.518 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -70.04 -26.29 63.97 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.487 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.529 HG23 ' HB3' ' A' ' 45' ' ' ASN . 43.9 p -68.0 -44.44 76.58 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 177.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA3' ' HB2' ' A' ' 112' ' ' LEU . . . -53.69 -37.66 57.36 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 123.422 0.534 . . . . 0.0 112.986 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -39.2 55.18 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.417 0.608 . . . . 0.0 111.113 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.06 -49.29 72.0 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.56 -50.51 73.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 125.544 1.538 . . . . 0.0 109.705 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 19.0 ttp -53.56 -51.25 63.54 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 120.018 1.281 . . . . 0.0 111.583 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.98 -49.62 76.18 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.05 -45.94 89.49 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 117.897 -1.049 . . . . 0.0 110.294 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 m -56.14 -44.14 78.91 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 121.01 1.732 . . . . 0.0 111.766 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.9 m -53.02 -57.86 8.93 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -67.35 -13.32 61.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.032 1.333 . . . . 0.0 113.076 -170.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.505 HD11 ' HA ' ' A' ' 12' ' ' PHE . 13.2 mt -94.22 6.78 47.57 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.171 0.989 . . . . 0.0 110.899 173.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 62.24 37.55 14.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.894 1.678 . . . . 0.0 110.453 -177.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 36.0 mtm -98.64 -7.57 27.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 117.963 -1.018 . . . . 0.0 112.333 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 CA--C 1.519 -0.222 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -174.886 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.08 89.6 2.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.412 2.285 . . . . 0.0 105.206 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -61.11 -30.54 70.43 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -173.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.48 -65.89 2.72 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.579 1.085 . . . . 0.0 111.298 166.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -71.38 -22.91 61.82 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.45 81.35 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.77 1.628 . . . . 0.0 111.662 169.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 17.5 ttm -66.01 -37.7 86.59 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 121.767 -0.583 . . . . 0.0 109.661 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -55.33 36.48 Favored 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -45.45 -48.16 13.81 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 123.869 0.868 . . . . 0.0 110.116 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.5 -68.02 0.3 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.613 0.765 . . . . 0.0 111.357 175.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.1 -38.37 73.27 Favored 'General case' 0 C--N 1.344 0.353 0 O-C-N 121.093 -1.005 . . . . 0.0 111.761 -173.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -47.49 -49.05 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.553 1.941 . . . . 0.0 110.992 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -78.52 -2.48 38.92 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.38 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.52 3.92 22.07 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.994 1.283 . . . . 0.0 113.188 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.39 146.15 54.93 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 119.631 1.716 . . . . 0.0 111.155 -165.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.55 160.33 16.82 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 122.209 1.004 . . . . 0.0 109.146 174.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -59.99 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.019 1.328 . . . . 0.0 110.413 176.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.7 m -68.69 -31.79 71.13 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 119.025 0.83 . . . . 0.0 110.551 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 9.5 ttt -55.42 -55.14 35.14 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 119.169 0.895 . . . . 0.0 108.979 170.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.04 -30.14 70.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 120.803 -1.186 . . . . 0.0 111.846 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -66.88 -42.12 86.08 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 119.415 1.007 . . . . 0.0 110.551 171.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -57.19 -48.45 78.72 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.666 1.587 . . . . 0.0 110.104 174.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 mp -55.74 -20.4 14.54 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 125.701 1.601 . . . . 0.0 114.949 175.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.0 mp -103.54 -32.35 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-O 116.694 -1.622 . . . . 0.0 111.335 171.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -60.56 -48.24 82.67 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 121.604 2.002 . . . . 0.0 109.348 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.6 mt -67.49 -49.82 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -176.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.2 t -67.52 -49.12 73.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 118.248 0.476 . . . . 0.0 110.516 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -58.15 -41.84 84.64 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.61 18.09 6.08 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 128.91 3.148 . . . . 0.0 114.42 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 67.5 m -131.8 -28.1 1.83 Allowed 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 125.651 1.58 . . . . 0.0 110.229 168.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -56.47 -17.31 7.79 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 121.857 2.117 . . . . 0.0 114.641 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 -43.6 2.23 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.601 -1.312 . . . . 0.0 108.81 173.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 m -55.86 -40.68 73.26 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 127.494 2.317 . . . . 0.0 113.695 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.8 m -69.17 118.03 57.79 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 171.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -77.94 140.37 18.12 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.518 2.145 . . . . 0.0 108.396 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.43 161.56 42.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.25 0.62 . . . . 0.0 109.361 170.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.61 162.91 3.54 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 151.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -62.23 -5.1 2.1 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.035 1.734 . . . . 0.0 113.69 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -68.53 97.12 0.75 Allowed 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -34.77 23.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 127.195 2.198 . . . . 0.0 115.714 -174.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.96 -45.52 85.38 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 119.976 1.262 . . . . 0.0 109.25 173.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.3 mt -63.51 -44.3 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 119.687 1.131 . . . . 0.0 109.926 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -50.68 -65.84 0.49 Allowed 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.2 1.4 . . . . 0.0 111.008 171.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.8 m -62.49 -34.31 76.59 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.156 0.889 . . . . 0.0 111.983 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.451 ' HB2' ' HA3' ' A' ' 49' ' ' GLY . 7.1 tp -53.75 -47.31 70.77 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.034 1.288 . . . . 0.0 108.681 169.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.59 -45.42 96.36 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.153 0.883 . . . . 0.0 112.335 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 35.9 t -58.32 -39.46 74.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 118.866 1.333 . . . . 0.0 109.332 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.99 77.28 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.653 -1.279 . . . . 0.0 112.467 173.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.5 m -66.38 -41.33 89.54 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.152 0.887 . . . . 0.0 110.519 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.6 p -58.3 -49.73 76.14 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -65.78 -39.09 90.63 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 127.403 2.281 . . . . 0.0 110.673 -172.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -60.53 2.71 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 124.261 1.024 . . . . 0.0 109.275 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.95 74.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 118.848 -0.596 . . . . 0.0 111.325 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.66 -41.7 74.01 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 117.73 -1.129 . . . . 0.0 111.224 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.41 HG21 ' CH2' ' A' ' 37' ' ' TRP . 4.3 mm -60.49 -47.07 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 121.467 1.94 . . . . 0.0 110.29 177.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -65.38 -14.37 60.71 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 176.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -41.76 11.6 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 120.781 1.628 . . . . 0.0 109.175 172.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.477 HD13 ' CZ3' ' A' ' 127' ' ' TRP . 35.9 mt -68.69 -29.01 67.37 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -174.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 20.6 t30 95.42 27.58 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.32 1 C-N-CA 132.607 4.363 . . . . 0.0 110.511 167.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.477 ' CZ3' HD13 ' A' ' 125' ' ' LEU 0.26 6.6 m0 -91.77 27.97 1.92 Allowed 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -168.373 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-N 119.119 0.872 . . . . 0.0 110.375 178.505 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? . . . . . 0 C--O 1.226 -0.136 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -58.95 -44.96 91.55 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.971 0.805 . . . . 0.0 110.052 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' A' ' 82' ' ' ALA . 56.1 t -62.13 -50.01 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.81 0.844 . . . . 0.0 109.444 174.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -38.34 86.09 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.944 1.247 . . . . 0.0 110.416 -176.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -57.33 -53.93 52.59 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 124.232 1.013 . . . . 0.0 109.535 169.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -53.54 -46.84 70.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.769 1.628 . . . . 0.0 111.595 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -62.83 -59.71 4.48 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 127.639 2.376 . . . . 0.0 109.055 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 t -60.43 -28.37 68.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.145 1.378 . . . . 0.0 111.674 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -70.27 -55.06 10.17 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 125.433 1.493 . . . . 0.0 107.895 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -66.96 -33.5 75.71 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.202 -175.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.484 ' HA ' HD11 ' A' ' 59' ' ' LEU . 62.5 t80 -55.13 -36.88 66.23 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.513 1.125 . . . . 0.0 110.754 172.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.87 13.88 58.02 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 118.45 -1.195 . . . . 0.0 114.322 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -54.09 43.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 120.23 2.015 . . . . 0.0 111.089 -178.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.17 18.38 1.09 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.715 1.206 . . . . 0.0 112.641 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tp -57.96 -54.45 46.82 Favored 'General case' 0 C--O 1.223 -0.318 0 O-C-N 120.779 -1.201 . . . . 0.0 110.966 -174.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.02 -31.28 72.08 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.825 0.739 . . . . 0.0 112.591 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.22 -65.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 169.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.7 m -52.92 -35.69 58.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.915 0.886 . . . . 0.0 112.739 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -59.27 -53.27 60.15 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.422 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -70.58 -32.76 70.28 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.598 1.09 . . . . 0.0 110.8 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.98 -34.62 76.89 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.404 1.002 . . . . 0.0 112.805 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.0 mtm -116.97 9.52 13.74 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.738 1.215 . . . . 0.0 112.916 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.8 m 40.89 72.25 0.16 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-O 123.791 1.758 . . . . 0.0 111.254 -169.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.12 168.99 9.23 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 164.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.8 p -105.91 -171.51 1.92 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.626 1.203 . . . . 0.0 110.059 -159.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.5 -11.51 40.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.537 159.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -33.93 76.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 119.472 1.033 . . . . 0.0 109.897 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.5 pt -61.86 -30.93 49.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 CA-C-O 118.44 -0.791 . . . . 0.0 110.587 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -62.15 -33.66 74.92 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 119.107 0.867 . . . . 0.0 108.695 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -44.16 76.52 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.81 2.044 . . . . 0.0 111.264 176.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -58.19 -58.85 6.65 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -58.49 -34.04 70.46 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.236 -0.915 . . . . 0.0 112.226 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -43.36 86.53 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.662 1.185 . . . . 0.0 110.198 175.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -113.14 5.18 16.94 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 123.723 0.809 . . . . 0.0 111.924 -162.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.444 ' CE1' ' HG3' ' A' ' 119' ' ' LYS . 3.6 t80 -49.69 -42.26 45.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.133 1.773 . . . . 0.0 111.484 -178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -90.39 28.5 1.45 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.962 1.305 . . . . 0.0 112.719 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -79.48 174.52 11.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.885 1.274 . . . . 0.0 107.99 172.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.34 109.97 21.77 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 163.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.3 26.37 18.58 Favored Glycine 0 N--CA 1.466 0.688 0 C-N-CA 123.869 0.747 . . . . 0.0 114.463 166.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -87.98 145.08 26.18 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.573 1.149 . . . . 0.0 109.215 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -121.39 135.67 55.04 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-O 122.502 1.144 . . . . 0.0 110.568 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.9 mt -102.44 105.04 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 104.186 -2.524 . . . . 0.0 104.186 178.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -116.9 -8.38 11.31 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 119.214 -0.422 . . . . 0.0 112.048 169.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -48.14 114.17 0.88 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 126.522 1.929 . . . . 0.0 110.808 173.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -64.18 -28.1 69.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.27 -0.893 . . . . 0.0 110.296 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.75 -28.06 63.39 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.299 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.2 p -66.3 -44.51 83.28 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-N 120.03 1.286 . . . . 0.0 108.17 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.22 -52.14 23.79 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 124.844 1.211 . . . . 0.0 111.022 174.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -30.81 69.51 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.45 -52.25 66.0 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 120.035 1.289 . . . . 0.0 109.559 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.4 mt -55.29 -45.82 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.306 1.442 . . . . 0.0 108.525 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -58.85 -51.33 70.45 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.929 0.892 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.4 t -57.62 -53.87 53.28 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 122.969 0.507 . . . . 0.0 110.365 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 76.9 mt -54.1 -45.25 71.8 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.338 1.055 . . . . 0.0 110.732 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -51.49 -56.83 11.2 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.7 0.8 . . . . 0.0 110.709 174.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -50.36 -54.12 23.96 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.131 0.878 . . . . 0.0 111.0 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -64.02 -21.79 66.65 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.282 1.033 . . . . 0.0 113.308 -170.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 12' ' ' PHE . 21.7 mt -83.33 -2.28 55.32 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.919 0.888 . . . . 0.0 111.765 175.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 72.2 22.04 3.72 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 129.251 3.02 . . . . 0.0 112.226 -165.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.7 mtm -100.03 52.62 0.91 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.531 1.132 . . . . 0.0 110.733 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 147.424 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 C--O 1.236 0.342 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -113.4 106.14 14.23 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 163.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -49.61 -55.49 13.41 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.245 0.618 . . . . 0.0 111.0 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.89 -56.06 6.03 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.369 1.462 . . . . 0.0 113.571 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -70.18 -37.44 75.13 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.945 0.872 . . . . 0.0 111.798 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.77 -47.39 86.52 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.158 0.983 . . . . 0.0 111.404 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -43.24 99.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.27 1.828 . . . . 0.0 110.401 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -57.84 10.81 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 123.716 0.806 . . . . 0.0 109.376 172.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -49.06 -43.86 41.25 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.643 1.177 . . . . 0.0 110.575 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.51 ' HA ' HD11 ' A' ' 8' ' ' LEU . . . -65.0 -59.8 3.75 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 118.551 0.614 . . . . 0.0 112.365 176.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -61.25 -19.99 62.33 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.326 0.966 . . . . 0.0 112.752 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -70.62 -31.09 67.93 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 120.219 -1.551 . . . . 0.0 111.331 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -108.14 13.3 26.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.841 2.056 . . . . 0.0 113.465 -170.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.34 10.87 53.42 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-N 119.854 1.206 . . . . 0.0 114.468 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.416 ' HA ' HG11 ' A' ' 4' ' ' VAL . . . -78.43 129.7 35.23 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 119.413 1.607 . . . . 0.0 112.309 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.61 158.36 6.1 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 122.775 1.274 . . . . 0.0 110.299 166.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -53.88 50.7 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.052 2.141 . . . . 0.0 111.311 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 m -65.94 -39.1 90.19 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.97 -51.98 67.35 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 122.996 0.518 . . . . 0.0 109.732 176.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.24 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 119.091 0.86 . . . . 0.0 112.218 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -65.27 -47.87 75.18 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.369 173.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.05 -44.55 91.83 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.983 1.713 . . . . 0.0 110.594 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.01 -11.44 19.1 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.868 1.267 . . . . 0.0 112.396 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.1 -47.14 11.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 117.827 -1.082 . . . . 0.0 111.115 164.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.43 -30.68 71.77 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 120.985 1.72 . . . . 0.0 110.712 -168.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 56.3 mt -75.96 -47.92 30.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 123.834 0.854 . . . . 0.0 108.702 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.18 -63.13 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 125.033 1.333 . . . . 0.0 109.982 -178.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -54.92 -46.95 74.97 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.018 1.327 . . . . 0.0 108.375 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.95 -23.32 56.64 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 118.394 -1.226 . . . . 0.0 113.277 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.9 m -95.41 -24.8 16.53 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 119.828 1.814 . . . . 0.0 112.029 171.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.42 -29.91 7.18 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 122.259 2.299 . . . . 0.0 113.293 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.03 -35.45 3.48 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 124.971 1.308 . . . . 0.0 111.51 -175.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -34.36 64.1 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.369 1.067 . . . . 0.0 112.099 -178.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.1 m -69.13 121.13 80.75 Favored Pre-proline 0 N--CA 1.45 -0.441 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -74.5 145.85 34.09 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 122.654 2.236 . . . . 0.0 110.271 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.45 -174.33 3.93 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.292 1.437 . . . . 0.0 109.358 -174.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.31 2.6 p30 -112.66 -174.24 2.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 148.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -13.63 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.728 1.211 . . . . 0.0 111.752 178.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -66.17 96.05 0.32 Allowed 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.338 1.455 . . . . 0.0 110.274 171.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -44.71 -35.32 2.61 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.364 1.066 . . . . 0.0 111.969 167.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 34.5 m -61.94 -48.26 81.23 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 119.511 1.051 . . . . 0.0 110.083 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.0 mm -64.15 -45.18 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 125.487 1.515 . . . . 0.0 109.397 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -48.97 -66.94 0.32 Allowed 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.261 1.424 . . . . 0.0 110.471 172.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.0 m -60.98 -29.07 69.45 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.88 -56.23 13.27 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.889 0.876 . . . . 0.0 109.59 169.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.46 -38.31 69.55 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-O 119.236 -0.758 . . . . 0.0 112.533 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.54 -23.67 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 118.717 1.258 . . . . 0.0 108.8 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.4 -49.31 12.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.097 -1.43 . . . . 0.0 111.497 167.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -58.9 -37.97 77.83 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 121.579 1.99 . . . . 0.0 112.458 -171.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 20.2 p -61.05 -61.55 2.5 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -49.94 -46.95 52.65 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 126.327 1.851 . . . . 0.0 111.708 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.444 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 1.9 ttpp -46.07 -57.8 4.15 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 127.413 2.285 . . . . 0.0 110.584 172.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.35 -32.22 72.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.076 0.853 . . . . 0.0 111.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.03 -41.22 82.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.674 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.2 mm -56.17 -45.42 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 119.642 1.11 . . . . 0.0 110.098 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -64.17 -28.35 69.69 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.16 0.584 . . . . 0.0 111.935 175.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -40.46 72.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 119.975 -1.703 . . . . 0.0 107.916 174.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.5 mt -75.28 -4.76 40.97 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.556 1.143 . . . . 0.0 111.388 -172.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.3 t30 58.54 23.83 11.26 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.359 2.263 . . . . 0.0 112.201 -171.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.1 m0 -86.06 27.46 0.9 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.44 1.896 . . . . 0.0 111.154 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 1 C-N-CA 131.776 4.03 . . . . 0.0 107.002 -164.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -41.67 -69.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 129.883 3.273 . . . . 0.0 110.674 -167.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.88 -35.24 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.759 -175.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -47.49 85.46 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.21 1.804 . . . . 0.0 111.261 177.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.63 -45.74 85.02 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.052 0.941 . . . . 0.0 109.911 175.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -68.36 -36.77 79.69 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 122.639 0.375 . . . . 0.0 111.792 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.39 -46.49 86.22 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 125.032 1.333 . . . . 0.0 110.323 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -53.14 -44.68 67.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.255 1.422 . . . . 0.0 109.329 170.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.25 -38.51 68.87 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 120.664 -1.272 . . . . 0.0 111.208 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.9 -35.05 62.26 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.424 -174.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.456 ' HA ' HD11 ' A' ' 59' ' ' LEU . 3.5 t80 -56.5 -45.38 81.05 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 168.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.89 10.08 1.73 Allowed Glycine 0 CA--C 1.536 1.355 0 CA-C-O 117.878 -1.512 . . . . 0.0 116.573 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -58.73 7.27 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 121.26 2.53 . . . . 0.0 111.52 -176.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 22.55 0.13 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.182 0.993 . . . . 0.0 113.231 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HA ' HD21 ' A' ' 55' ' ' LEU . 16.0 tp -55.79 -53.36 57.67 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 120.713 1.597 . . . . 0.0 110.973 -171.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.48 -28.2 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 122.058 0.932 . . . . 0.0 111.664 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.06 -58.71 5.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.165 170.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.1 m -57.78 -25.56 60.68 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.929 -1.107 . . . . 0.0 112.997 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -64.0 -59.67 4.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 124.214 1.006 . . . . 0.0 108.796 170.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -44.67 85.89 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 119.954 1.252 . . . . 0.0 110.669 -173.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.16 -35.81 17.72 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.507 1.523 . . . . 0.0 112.916 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mtm -119.55 -0.94 10.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.463 1.105 . . . . 0.0 112.721 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.1 m 46.49 82.83 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.821 2.049 . . . . 0.0 111.783 -161.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.0 mt -111.75 138.72 47.95 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.975 0.91 . . . . 0.0 108.93 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 p -75.41 160.22 30.5 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.191 0.996 . . . . 0.0 113.08 -167.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -11.53 60.86 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.158 -0.964 . . . . 0.0 111.969 173.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.28 -30.16 62.11 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.386 171.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 pt -68.8 -29.95 45.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.609 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -61.44 -28.47 69.3 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.01 1.277 . . . . 0.0 108.846 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -45.55 57.44 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 119.218 0.917 . . . . 0.0 109.489 171.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.51 -46.37 90.39 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 119.358 0.981 . . . . 0.0 109.777 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -63.87 -46.29 85.62 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 125.228 1.411 . . . . 0.0 111.54 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -62.24 -52.3 64.3 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.487 1.04 . . . . 0.0 110.368 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 81.3 m-20 -74.09 2.36 9.05 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.783 0.833 . . . . 0.0 111.399 -178.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.78 -27.34 68.82 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 119.544 -1.973 . . . . 0.0 111.909 -171.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -94.65 22.61 6.1 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -64.25 -174.92 0.13 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.965 1.306 . . . . 0.0 110.748 168.793 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.37 54.27 0.89 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.568 2.347 . . . . 0.0 111.388 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.5 17.67 2.34 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.186 1.374 . . . . 0.0 113.378 174.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -62.3 156.72 21.49 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 118.343 1.071 . . . . 0.0 109.888 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -131.24 135.88 47.74 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 125.041 1.336 . . . . 0.0 109.399 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.9 mt -106.93 122.37 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 -170.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -133.12 -26.45 1.7 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 117.746 -1.121 . . . . 0.0 113.332 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -62.23 110.81 1.74 Allowed 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.454 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 2.2 ptm180 -55.81 -24.27 35.13 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.572 1.078 . . . . 0.0 110.768 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.04 -29.36 67.23 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.394 0.677 . . . . 0.0 111.962 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.7 p -71.1 -46.16 62.3 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-N 119.65 1.114 . . . . 0.0 108.73 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.21 -41.53 94.87 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -30.4 65.89 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.991 0.895 . . . . 0.0 112.447 175.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 -53.29 55.93 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.602 1.092 . . . . 0.0 109.887 170.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.9 mt -52.22 -47.78 44.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.274 1.429 . . . . 0.0 108.792 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -59.53 -53.08 62.26 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.566 -0.709 . . . . 0.0 111.526 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.99 -46.78 78.6 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 123.613 0.765 . . . . 0.0 111.092 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' A' ' 16' ' ' LEU . 76.7 mt -55.36 -52.1 64.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.174 0.99 . . . . 0.0 108.666 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.69 -44.9 57.99 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.278 0.631 . . . . 0.0 110.863 176.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.475 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -57.69 -55.76 30.66 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 178.13 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -64.06 -11.78 32.66 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.389 1.476 . . . . 0.0 112.687 -174.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.456 HD11 ' HA ' ' A' ' 12' ' ' PHE . 9.0 mt -96.35 20.95 9.7 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.83 1.252 . . . . 0.0 109.95 175.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.39 19.22 7.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.895 2.078 . . . . 0.0 112.35 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -90.0 -17.39 27.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.64 1.109 . . . . 0.0 111.6 -171.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 57' ' ' THR . 1.3 mp . . . . . 0 CA--C 1.498 -1.023 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -172.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.316 0.579 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -74.28 82.68 1.87 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.182 0.993 . . . . 0.0 109.075 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -51.34 -35.19 37.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.098 1.359 . . . . 0.0 113.36 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.4 -44.35 85.04 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.568 0.604 . . . . 0.0 112.477 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -85.92 -35.3 20.58 Favored 'General case' 0 N--CA 1.458 -0.048 0 C-N-CA 124.124 0.97 . . . . 0.0 111.014 -174.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.69 -43.97 37.52 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.949 1.7 . . . . 0.0 111.586 168.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.8 ttm -65.04 -40.64 95.09 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.815 0.846 . . . . 0.0 111.834 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -61.19 -42.64 98.94 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 118.884 0.766 . . . . 0.0 109.636 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -53.31 -44.94 68.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 118.164 0.438 . . . . 0.0 110.904 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.59 -56.96 10.54 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.498 0.719 . . . . 0.0 110.165 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -25.13 64.23 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.73 -0.606 . . . . 0.0 111.76 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -54.05 -53.82 47.78 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.534 1.134 . . . . 0.0 110.311 170.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -72.6 -20.21 61.34 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.386 -175.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.72 11.19 6.62 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.593 1.092 . . . . 0.0 113.782 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.83 141.82 54.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 119.04 1.42 . . . . 0.0 110.646 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 153.73 16.67 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 174.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -55.51 32.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.773 1.629 . . . . 0.0 109.174 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 m -65.84 -37.69 86.87 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 124.269 1.028 . . . . 0.0 110.163 -177.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.5 ttp -60.63 -50.52 73.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.91 -31.67 73.02 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.008 -1.058 . . . . 0.0 111.975 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -64.03 -45.79 87.29 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.819 170.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -55.01 -50.4 69.13 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.753 1.221 . . . . 0.0 110.068 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.1 mp -45.56 -60.84 1.96 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.724 1.21 . . . . 0.0 110.962 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.78 -29.84 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.648 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -69.46 -43.26 73.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 121.047 1.749 . . . . 0.0 110.302 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.9 mt -64.02 -50.8 75.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 125.092 1.357 . . . . 0.0 108.055 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.39 -49.73 79.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.429 0.691 . . . . 0.0 110.697 -175.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.13 -32.37 73.73 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.871 0.869 . . . . 0.0 109.84 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.58 -63.08 4.94 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 17.6 m -59.25 -23.56 62.46 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 115.414 -2.231 . . . . 0.0 113.48 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -48.24 -26.69 2.07 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 122.7 2.5 . . . . 0.0 112.349 175.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 -30.14 1.72 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.696 1.198 . . . . 0.0 112.871 176.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -40.37 89.1 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.545 0.611 . . . . 0.0 110.801 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 55.4 m -63.63 117.88 39.16 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -73.95 144.69 34.74 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 121.941 1.76 . . . . 0.0 109.633 165.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -146.91 -174.83 4.59 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.89 0.876 . . . . 0.0 109.859 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.86 168.01 10.91 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 149.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -68.23 3.34 1.71 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.535 1.134 . . . . 0.0 113.877 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.93 94.26 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 162.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -23.92 35.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 O-C-N 120.61 -1.306 . . . . 0.0 113.052 177.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 14.9 m -55.7 -60.81 2.93 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 167.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.7 mm -61.08 -44.33 98.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 125.865 1.666 . . . . 0.0 110.002 -175.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -55.49 -62.25 1.8 Allowed 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.334 1.053 . . . . 0.0 110.952 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.2 m -59.9 -34.27 72.97 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.825 0.739 . . . . 0.0 111.298 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER -50.66 -54.38 23.48 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.777 1.171 . . . . 0.0 110.365 169.195 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.55 -46.51 93.62 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.029 -0.873 . . . . 0.0 111.26 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.08 -49.36 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 118.088 0.944 . . . . 0.0 109.011 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.13 -16.36 61.45 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.494 -1.379 . . . . 0.0 112.267 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.8 m -88.41 -38.92 14.67 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.695 1.598 . . . . 0.0 111.326 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.1 p -59.5 -47.28 86.14 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.458 ' CE2' HD11 ' A' ' 122' ' ' ILE . 81.1 t80 -59.63 -45.92 90.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 117.123 -1.418 . . . . 0.0 109.906 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -44.17 -55.96 4.43 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.129 1.332 . . . . 0.0 110.886 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.6 -38.98 75.83 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.958 0.345 . . . . 0.0 111.094 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -59.9 -40.1 87.66 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 118.597 0.635 . . . . 0.0 111.017 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.458 HD11 ' CE2' ' A' ' 118' ' ' PHE . 5.5 mm -59.11 -50.91 78.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -175.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -58.21 -45.65 87.26 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.741 0.816 . . . . 0.0 110.951 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -64.25 -31.97 73.38 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.753 -0.592 . . . . 0.0 111.292 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.7 mt -82.24 -3.21 54.68 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.887 2.075 . . . . 0.0 111.68 173.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 63.74 18.77 11.35 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.963 2.505 . . . . 0.0 114.018 -177.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -77.98 34.79 0.2 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.804 2.441 . . . . 0.0 113.652 -173.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.429 1 C-N-CA 131.917 4.087 . . . . 0.0 109.165 -156.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.342 0 CA-C-O 119.345 -0.36 . . . . 0.0 111.954 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.12 -58.78 6.28 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.267 1.427 . . . . 0.0 110.186 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -63.52 -44.23 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 121.463 0.649 . . . . 0.0 110.282 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.7 tpt -50.43 -49.58 54.42 Favored 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 124.873 1.269 . . . . 0.0 112.081 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -56.09 -51.39 68.07 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.294 1.406 . . . . 0.0 109.857 176.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -61.77 -32.95 73.26 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.962 1.305 . . . . 0.0 112.496 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -66.18 -45.15 81.89 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.082 0.953 . . . . 0.0 110.228 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -67.99 -26.49 65.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.763 0.711 . . . . 0.0 112.089 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.7 tp -71.72 -51.82 20.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -68.19 -34.18 75.79 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.416 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -56.02 -54.66 42.19 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 122.917 0.487 . . . . 0.0 110.12 170.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.47 4.07 7.38 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-O 117.392 -1.782 . . . . 0.0 115.545 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -52.07 -64.65 0.75 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.521 2.16 . . . . 0.0 110.287 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.474 ' HB1' ' HZ3' ' A' ' 58' ' ' LYS . . . -78.98 18.31 0.64 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.872 1.269 . . . . 0.0 113.282 -174.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.525 ' HA ' HD21 ' A' ' 55' ' ' LEU . 11.3 tp -53.81 -54.98 30.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 124.574 1.149 . . . . 0.0 109.223 -176.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -70.46 -32.5 70.08 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -170.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.18 -51.68 68.73 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 170.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.89 -34.71 76.52 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.549 0.34 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -57.29 -62.01 2.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -37.53 87.21 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.756 1.162 . . . . 0.0 110.808 -176.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.24 -30.32 64.53 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.609 1.163 . . . . 0.0 112.76 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mtm -119.07 -0.73 11.05 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.624 1.169 . . . . 0.0 111.655 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.1 m 48.33 73.02 0.23 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.3 1.84 . . . . 0.0 110.937 -165.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.9 mt -105.65 147.91 27.96 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 169.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.3 p -83.68 178.83 7.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.417 1.103 . . . . 0.0 111.232 -164.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -73.27 -34.05 65.59 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-O 116.79 -1.576 . . . . 0.0 110.144 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.52 43.51 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 124.409 1.068 . . . . 0.0 113.198 -166.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.435 HG22 HG22 ' A' ' 48' ' ' THR . 7.3 pt -60.78 -24.84 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 124.456 1.102 . . . . 0.0 111.432 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -50.72 -38.27 46.36 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 119.69 1.132 . . . . 0.0 110.077 170.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -41.04 69.19 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.334 1.054 . . . . 0.0 108.859 -178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.23 -23.37 62.91 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.176 0.991 . . . . 0.0 111.747 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -87.2 -46.84 9.37 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.995 1.718 . . . . 0.0 109.976 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -65.73 -54.31 28.97 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.722 1.609 . . . . 0.0 110.427 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -79.92 0.49 31.13 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 117.675 -1.155 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -46.79 -41.93 16.22 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 120.656 1.571 . . . . 0.0 112.623 -170.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.443 ' CH2' HG21 ' A' ' 122' ' ' ILE . 69.1 m95 -83.19 8.49 13.07 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 -175.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 156.49 23.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 122.94 1.352 . . . . 0.0 110.134 176.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -80.54 24.14 0.48 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 -165.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 166.55 17.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.374 0.987 . . . . 0.0 112.774 -173.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -74.61 128.8 36.44 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 118.613 1.206 . . . . 0.0 109.972 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -101.56 149.87 23.66 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 123.007 1.384 . . . . 0.0 113.558 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.5 mt -121.23 122.72 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 C-N-CA 128.371 2.669 . . . . 0.0 104.202 -166.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -142.17 -23.58 0.68 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.141 1.164 . . . . 0.0 114.141 -171.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.46 117.14 7.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -53.4 -29.42 34.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.466 1.106 . . . . 0.0 110.195 166.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -58.58 -37.56 76.04 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.277 1.431 . . . . 0.0 111.59 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.435 HG22 HG22 ' A' ' 29' ' ' ILE . 11.8 p -74.61 -36.92 62.96 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 120.051 1.296 . . . . 0.0 109.475 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -54.71 -51.96 49.07 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -31.5 70.23 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 176.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.26 -49.97 72.02 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 120.233 1.378 . . . . 0.0 110.578 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.4 mt -53.1 -50.43 45.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 125.398 1.479 . . . . 0.0 108.277 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.3 ttp -60.35 -44.99 95.04 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.8 t -63.97 -43.37 95.96 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.072 0.549 . . . . 0.0 110.049 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 16' ' ' LEU . 62.9 mt -58.6 -50.81 72.45 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 173.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.8 m -55.0 -42.3 72.32 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.89 1.223 . . . . 0.0 112.0 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.4 m -49.7 -53.58 23.79 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 120.313 1.415 . . . . 0.0 109.483 169.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.474 ' HZ3' ' HB1' ' A' ' 15' ' ' ALA . 3.3 mttp -66.77 -18.03 65.17 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -173.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -93.85 12.09 27.08 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.923 1.692 . . . . 0.0 111.227 170.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 m120 57.66 29.55 17.46 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.905 2.082 . . . . 0.0 111.278 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.3 mtm -79.13 15.04 1.24 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 120.855 -1.153 . . . . 0.0 112.275 -175.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 105.345 -2.095 . . . . 0.0 105.345 176.201 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -91.1 93.79 9.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 173.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -53.35 -35.75 60.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.454 1.102 . . . . 0.0 111.601 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.8 -80.98 0.07 OUTLIER Glycine 0 CA--C 1.525 0.693 0 C-N-CA 126.805 2.145 . . . . 0.0 112.797 166.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.37 -23.23 62.38 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.043 1.421 . . . . 0.0 113.077 -171.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.74 -57.6 10.38 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.547 1.539 . . . . 0.0 110.685 168.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.8 ttm -62.92 -42.82 99.92 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.169 0.988 . . . . 0.0 111.449 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.52 -48.17 82.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -175.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -51.65 -44.17 62.91 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 122.848 0.459 . . . . 0.0 111.009 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.37 -66.06 0.59 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.787 0.835 . . . . 0.0 110.287 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -39.42 72.17 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.149 0.58 . . . . 0.0 110.381 -176.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -50.94 -45.56 60.69 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 126.08 1.752 . . . . 0.0 112.472 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -81.53 -2.71 50.88 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 117.888 -1.053 . . . . 0.0 112.989 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.76 9.32 21.15 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-N 119.429 1.013 . . . . 0.0 113.957 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.51 148.31 49.03 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.475 1.638 . . . . 0.0 111.124 -173.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.61 158.82 34.94 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 172.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.62 -55.0 40.75 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.578 1.551 . . . . 0.0 110.085 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.0 m -59.95 -43.47 94.98 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 123.294 0.638 . . . . 0.0 109.478 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.8 ttt -56.96 -52.14 66.38 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.046 0.938 . . . . 0.0 110.209 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.77 94.27 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 118.791 -0.623 . . . . 0.0 110.123 -176.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -68.19 -33.6 74.74 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.263 175.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.92 -53.54 56.69 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.124 1.37 . . . . 0.0 110.126 175.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.478 HD11 ' HZ3' ' A' ' 127' ' ' TRP . 0.0 OUTLIER -48.45 -49.93 33.35 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.026 0.83 . . . . 0.0 111.174 176.548 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mp -73.93 -33.62 37.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 CA-C-O 117.162 -1.399 . . . . 0.0 110.76 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.09 -40.85 97.13 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 122.855 2.57 . . . . 0.0 112.2 178.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.2 mt -74.61 -47.68 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 124.16 0.984 . . . . 0.0 108.345 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.6 t -61.08 -56.14 19.93 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 123.544 0.738 . . . . 0.0 109.726 177.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -59.39 -30.23 68.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.145 0.978 . . . . 0.0 110.795 -175.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.92 -66.33 2.47 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 171.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 6.8 m -45.42 -36.08 4.1 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 116.42 -1.752 . . . . 0.0 111.713 177.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -47.91 -28.04 2.47 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 122.36 2.345 . . . . 0.0 114.665 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.67 -30.65 2.52 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 124.902 1.281 . . . . 0.0 113.051 176.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.4 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . 42.5 m -52.05 -44.02 64.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.465 1.106 . . . . 0.0 110.703 167.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.9 m -76.34 124.34 88.07 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 123.294 0.638 . . . . 0.0 110.143 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.8 141.02 18.95 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.503 2.802 . . . . 0.0 109.914 166.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.77 166.99 31.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.301 1.441 . . . . 0.0 109.156 171.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.93 169.71 14.25 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 159.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -66.29 -6.76 15.1 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.492 1.117 . . . . 0.0 113.613 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.41 93.46 0.07 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 172.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.68 -32.66 1.57 Allowed 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 127.72 2.408 . . . . 0.0 113.69 169.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 61.0 m -61.02 -53.82 52.49 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.27 1.395 . . . . 0.0 109.018 171.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 7.4 mm -61.33 -51.45 72.9 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 C-N-CA 125.191 1.396 . . . . 0.0 109.125 -175.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -50.75 -57.9 7.21 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 126.132 1.773 . . . . 0.0 111.238 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.0 m -63.25 -32.72 74.2 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.056 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -56.21 22.99 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.304 1.442 . . . . 0.0 109.517 167.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.84 -40.71 99.19 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-O 119.265 -0.742 . . . . 0.0 112.231 -175.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 75.0 t -59.69 -47.47 91.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 125.158 1.383 . . . . 0.0 108.718 175.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.19 98.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 121.38 -0.825 . . . . 0.0 111.059 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.4 m -70.44 -35.71 73.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.236 -0.888 . . . . 0.0 112.267 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.2 p -67.36 -43.95 80.22 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.872 1.669 . . . . 0.0 109.251 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -57.56 -46.49 83.88 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.015 1.326 . . . . 0.0 111.644 176.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -41.48 -59.26 1.64 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.377 1.471 . . . . 0.0 109.802 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.12 -40.49 64.24 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.609 0.764 . . . . 0.0 112.075 -172.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -59.02 -43.11 91.52 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 126.036 1.734 . . . . 0.0 110.945 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.443 HG21 ' CH2' ' A' ' 37' ' ' TRP . 16.3 mm -61.84 -40.59 87.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 123.354 0.662 . . . . 0.0 109.484 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -61.95 -42.85 99.59 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.066 -0.396 . . . . 0.0 110.864 171.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -60.43 -38.53 84.39 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.72 -1.237 . . . . 0.0 111.01 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.5 mt -73.15 -11.63 60.6 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.033 1.333 . . . . 0.0 111.334 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 59.5 t30 72.12 20.22 4.32 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.649 2.38 . . . . 0.0 112.641 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.478 ' HZ3' HD11 ' A' ' 90' ' ' LEU . 42.5 m0 -84.26 16.09 3.21 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.337 1.855 . . . . 0.0 112.206 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.844 0 C-N-CA 126.933 2.093 . . . . 0.0 109.074 -178.529 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 118.239 -0.886 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.71 -57.69 7.7 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.328 1.051 . . . . 0.0 111.415 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 p -69.98 -38.15 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 124.0 0.92 . . . . 0.0 111.647 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -44.9 67.33 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.543 0.737 . . . . 0.0 111.034 173.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -62.18 -47.51 84.17 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 124.782 1.233 . . . . 0.0 109.783 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -62.75 -36.46 83.11 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.12 0.968 . . . . 0.0 111.585 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 82' ' ' ALA . 13.0 mt -66.85 -50.64 61.88 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 126.22 1.808 . . . . 0.0 109.867 175.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -57.27 -35.89 70.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.533 1.133 . . . . 0.0 109.988 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.3 tp -69.04 -53.23 21.54 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.806 1.243 . . . . 0.0 108.656 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -66.43 -36.4 82.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.85 -173.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.41 -50.11 74.88 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.984 0.914 . . . . 0.0 108.858 172.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.09 22.36 2.45 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.956 1.265 . . . . 0.0 114.892 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -65.69 -63.02 1.19 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 120.037 1.919 . . . . 0.0 111.468 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.61 26.42 0.05 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.699 1.6 . . . . 0.0 113.767 -174.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -55.14 -54.02 48.58 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 124.759 1.224 . . . . 0.0 111.015 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 20' ' ' LYS . 36.5 t70 -63.26 -39.04 93.47 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.989 0.813 . . . . 0.0 111.97 -176.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.7 -55.16 38.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 175.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -57.51 -38.31 74.41 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.132 0.973 . . . . 0.0 113.002 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 4.5 mtpt -56.26 -50.31 71.7 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.655 1.182 . . . . 0.0 109.81 176.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -73.43 -40.01 64.56 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.622 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.4 -34.49 66.78 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.063 1.745 . . . . 0.0 111.651 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.0 mtm -122.95 -6.57 8.44 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.597 -172.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m 60.91 85.33 0.12 Allowed 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.083 1.753 . . . . 0.0 110.465 -168.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -123.27 142.06 51.33 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -82.59 -176.57 6.32 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.547 0.612 . . . . 0.0 110.876 -171.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -9.25 57.37 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 119.934 -1.729 . . . . 0.0 112.706 176.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -27.92 69.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.486 0.314 . . . . 0.0 111.047 175.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.5 pt -65.3 -27.95 43.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 121.081 -1.012 . . . . 0.0 111.573 170.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -69.87 -40.09 75.92 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.748 1.219 . . . . 0.0 108.063 -176.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.41 -44.52 92.83 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.164 1.386 . . . . 0.0 110.237 169.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -55.85 24.9 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -60.96 -35.21 76.17 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.157 0.983 . . . . 0.0 111.677 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -63.33 -53.41 53.07 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.571 0.749 . . . . 0.0 109.944 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -69.5 -36.49 76.52 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 115.856 -2.021 . . . . 0.0 110.481 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -24.72 -51.35 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.35 1 C-N-CA 131.899 4.08 . . . . 0.0 114.382 -156.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.5 ' CH2' HG21 ' A' ' 122' ' ' ILE . 50.1 m95 -66.72 26.09 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.499 1.52 . . . . 0.0 113.652 171.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -86.77 146.35 26.28 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-O 122.775 1.274 . . . . 0.0 108.85 -176.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.32 102.93 0.1 Allowed 'General case' 0 N--CA 1.433 -1.307 0 C-N-CA 127.482 2.313 . . . . 0.0 107.43 158.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.58 -16.46 49.69 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 117.937 -1.48 . . . . 0.0 116.784 162.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -52.57 145.55 11.54 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 120.147 1.974 . . . . 0.0 109.961 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -111.11 142.47 43.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 123.431 1.586 . . . . 0.0 113.617 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.452 HG22 ' CD1' ' A' ' 112' ' ' LEU . 38.6 mt -121.89 103.86 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 C-N-CA 128.282 2.633 . . . . 0.0 105.049 -170.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -130.99 -10.89 3.79 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.327 0.651 . . . . 0.0 111.842 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.17 107.75 1.66 Allowed 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.613 1.565 . . . . 0.0 110.463 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -54.27 -25.39 23.23 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 121.146 -0.971 . . . . 0.0 112.733 173.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.98 -28.47 67.47 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.997 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.5 p -68.24 -41.11 81.67 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.958 1.254 . . . . 0.0 108.152 171.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.7 -51.73 53.1 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.167 1.365 . . . . 0.0 112.172 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -31.02 70.97 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.698 -0.884 . . . . 0.0 112.023 175.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.31 -52.19 66.69 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.22 0.918 . . . . 0.0 109.928 171.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.2 mt -51.15 -50.59 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 125.738 1.615 . . . . 0.0 108.892 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -43.07 91.62 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.231 0.468 . . . . 0.0 111.304 -177.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.2 -45.92 91.22 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.83 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.6 mt -54.86 -52.02 64.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.684 1.129 . . . . 0.0 108.946 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.4 m -50.42 -56.55 10.97 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.895 0.878 . . . . 0.0 111.911 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -44.4 90.81 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.681 1.128 . . . . 0.0 110.766 -177.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -64.6 -8.62 14.88 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.45 1.5 . . . . 0.0 113.314 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.4 mt -112.59 17.59 19.06 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.581 1.552 . . . . 0.0 110.24 175.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 53.18 49.43 19.96 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 127.712 2.405 . . . . 0.0 111.304 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.0 mtm -110.25 3.57 20.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 117.772 -1.108 . . . . 0.0 113.35 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.0 mt . . . . . 0 CA--C 1.515 -0.393 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 170.732 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 C--O 1.231 0.121 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -79.28 91.0 4.97 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.855 0.862 . . . . 0.0 109.813 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -59.57 -36.67 76.67 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -174.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.01 -60.35 8.18 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 174.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -58.99 -37.79 77.64 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.098 0.959 . . . . 0.0 111.454 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.25 -54.45 44.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.959 1.304 . . . . 0.0 110.731 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.6 ttm -61.33 -39.47 90.66 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.636 1.175 . . . . 0.0 111.758 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -56.59 -35.71 68.54 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.842 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.97 -36.23 81.72 Favored 'General case' 0 CA--C 1.523 -0.075 0 C-N-CA 123.812 0.845 . . . . 0.0 109.89 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.07 -56.08 17.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.66 9.9 0.58 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.116 1.367 . . . . 0.0 112.94 171.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -93.21 -26.74 17.24 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.375 -1.453 . . . . 0.0 111.098 168.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -105.35 -9.33 17.66 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.283 1.433 . . . . 0.0 112.788 -175.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.53 20.93 33.19 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-O 118.879 -0.956 . . . . 0.0 113.527 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB2' HD11 ' A' ' 8' ' ' LEU . . . -61.63 153.27 28.42 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 119.56 1.68 . . . . 0.0 108.194 170.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.63 164.0 25.01 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -74.77 -45.65 42.31 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.207 -0.933 . . . . 0.0 110.062 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.0 m -60.85 -40.16 91.84 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.603 0.638 . . . . 0.0 110.296 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.0 ttt -57.74 -51.35 69.92 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.23 -32.03 72.8 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.9 -56.88 16.24 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 172.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -54.56 -44.94 73.37 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 125.267 1.427 . . . . 0.0 111.771 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.59 -13.53 22.63 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 117.555 -1.212 . . . . 0.0 112.618 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -102.17 -42.91 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-O 116.332 -1.794 . . . . 0.0 111.305 165.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -53.48 -48.53 68.83 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 121.666 2.03 . . . . 0.0 110.291 -177.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.39 -45.89 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 O-C-N 124.939 1.399 . . . . 0.0 108.323 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 79.5 t -67.81 -55.54 16.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 C-N-CA 125.519 1.528 . . . . 0.0 110.187 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -55.31 -41.4 72.34 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.72 1.208 . . . . 0.0 108.824 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -74.99 7.32 22.35 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 128.634 3.016 . . . . 0.0 113.912 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.6 m -120.93 -30.47 4.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.936 1.695 . . . . 0.0 110.59 165.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.87 -28.41 6.49 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 121.962 2.164 . . . . 0.0 113.975 -176.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.1 -47.93 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 m -51.76 -39.07 57.9 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 127.604 2.362 . . . . 0.0 114.295 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.4 m -74.17 114.78 36.5 Favored Pre-proline 0 N--CA 1.445 -0.701 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.13 129.06 16.58 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.071 1.847 . . . . 0.0 108.124 174.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -156.27 164.53 38.21 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.334 1.454 . . . . 0.0 108.786 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.432 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 77.3 m-20 -64.23 179.85 0.52 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.745 1.618 . . . . 0.0 113.344 177.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.85 -38.54 2.2 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 128.143 2.577 . . . . 0.0 112.576 147.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.432 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 48.8 t0 -66.82 90.24 0.17 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 124.401 1.08 . . . . 0.0 109.925 -167.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.505 ' HD3' ' CE3' ' A' ' 110' ' ' TRP . 9.5 mmtp -56.69 -20.73 23.21 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.525 -1.359 . . . . 0.0 112.844 -173.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 59.0 m -61.36 -56.04 24.77 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.87 0.759 . . . . 0.0 110.53 167.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.7 mm -56.17 -51.48 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.175 1.39 . . . . 0.0 108.576 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.505 ' CE3' ' HD3' ' A' ' 107' ' ' LYS . 33.0 t90 -52.43 -56.26 16.24 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 125.762 1.625 . . . . 0.0 111.598 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.7 m -66.05 -34.88 79.09 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.811 0.732 . . . . 0.0 111.595 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.452 ' CD1' HG22 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -52.27 -52.92 49.99 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 167.631 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.93 -38.89 93.16 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-O 118.333 -1.26 . . . . 0.0 113.23 -171.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.08 -42.9 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 124.61 1.164 . . . . 0.0 108.758 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.11 79.3 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.925 175.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 56.0 m -64.63 -46.17 83.68 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 121.11 1.777 . . . . 0.0 112.676 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.8 p -63.32 -52.18 62.93 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 118.638 0.654 . . . . 0.0 109.586 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.403 ' CE1' HD11 ' A' ' 122' ' ' ILE . 50.4 t80 -50.34 -49.51 53.75 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.776 1.23 . . . . 0.0 110.991 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -51.12 -52.85 39.87 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.168 0.987 . . . . 0.0 110.954 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.68 -41.05 55.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.191 0.45 . . . . 0.0 111.213 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.1 -41.18 95.21 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 117.867 -1.063 . . . . 0.0 110.946 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.5 HG21 ' CH2' ' A' ' 37' ' ' TRP . 11.9 mm -59.01 -45.95 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 120.316 1.416 . . . . 0.0 109.573 177.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -59.35 -49.54 77.43 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 119.106 -0.473 . . . . 0.0 110.921 174.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -55.32 -44.55 75.95 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.553 1.07 . . . . 0.0 110.874 174.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 27.7 mt -64.96 -7.67 12.59 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 126.893 2.077 . . . . 0.0 112.009 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.5 t30 56.09 37.75 29.17 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.94 1.696 . . . . 0.0 111.045 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -92.89 13.53 20.22 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.728 2.411 . . . . 0.0 112.177 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.321 0 C-N-CA 131.452 3.901 . . . . 0.0 108.006 -158.478 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 118.94 -0.552 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -52.96 -47.83 67.83 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.788 1.235 . . . . 0.0 110.077 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.442 HG12 ' CD1' ' A' ' 8' ' ' LEU . 55.2 t -65.33 -53.42 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 124.522 1.129 . . . . 0.0 109.334 174.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.3 tpt -56.56 -37.2 70.22 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 119.839 -1.788 . . . . 0.0 111.389 -173.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -36.77 72.31 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.357 175.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -57.62 -36.87 72.38 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.422 1.089 . . . . 0.0 112.032 169.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.442 ' CD1' HG12 ' A' ' 4' ' ' VAL . 4.9 mp -64.19 -49.3 72.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -31.58 70.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.49 1.116 . . . . 0.0 111.055 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 tp -67.24 -37.2 83.16 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.873 1.269 . . . . 0.0 109.068 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -95.29 -28.36 15.03 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.011 -170.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.44 -52.39 65.41 Favored 'General case' 0 N--CA 1.442 -0.846 0 O-C-N 121.807 -0.558 . . . . 0.0 109.547 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.48 21.49 17.53 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 117.542 -1.699 . . . . 0.0 114.469 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -49.0 -51.66 29.38 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 121.134 2.467 . . . . 0.0 110.494 173.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.33 16.43 2.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.977 1.311 . . . . 0.0 112.855 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -56.25 13.86 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 119.952 1.251 . . . . 0.0 110.373 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -25.64 59.45 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 118.95 -1.1 . . . . 0.0 109.889 -169.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.82 -59.29 5.36 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 172.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.68 -23.08 39.4 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.547 1.539 . . . . 0.0 112.814 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HG3' HD11 ' A' ' 29' ' ' ILE . 10.8 mtpp -66.6 -60.08 3.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 121.208 -0.932 . . . . 0.0 109.897 168.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -64.27 -32.81 74.55 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.311 0.959 . . . . 0.0 111.553 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.11 -30.4 59.64 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 124.897 1.279 . . . . 0.0 113.688 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.7 mtm -126.96 1.42 6.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.476 1.11 . . . . 0.0 113.103 -170.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.4 m 43.18 83.97 0.02 OUTLIER 'General case' 0 C--O 1.242 0.671 0 C-N-CA 125.733 1.613 . . . . 0.0 111.414 -157.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.4 mt -112.7 151.91 29.67 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.176 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.7 p -81.08 173.91 12.11 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.593 1.557 . . . . 0.0 111.645 -168.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -92.17 -6.28 50.99 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.38 -1.45 . . . . 0.0 111.315 172.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.69 -26.55 65.67 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.759 0.824 . . . . 0.0 111.513 165.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.587 ' HB ' HG22 ' A' ' 48' ' ' THR . 2.5 pt -75.83 -32.48 23.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 CA-C-N 119.01 0.823 . . . . 0.0 110.741 173.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -35.82 63.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.238 166.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.72 -11.69 60.23 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 174.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -78.6 -72.13 0.39 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.771 1.229 . . . . 0.0 108.007 162.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -44.44 -44.19 8.27 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.029 1.732 . . . . 0.0 112.555 -173.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -58.05 -54.41 47.24 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.123 1.769 . . . . 0.0 112.337 175.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -94.21 8.67 40.89 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.993 2.117 . . . . 0.0 112.135 -172.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -54.06 -29.4 43.96 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.208 1.403 . . . . 0.0 112.105 -173.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -106.2 24.85 11.8 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.173 2.189 . . . . 0.0 114.455 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -65.98 162.47 19.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 120.502 -1.374 . . . . 0.0 110.467 168.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.2 24.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.984 2.514 . . . . 0.0 116.946 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 169.01 15.17 0.02 OUTLIER Glycine 0 N--CA 1.464 0.516 0 O-C-N 121.01 -1.056 . . . . 0.0 113.612 173.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -71.35 126.83 30.67 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 117.301 0.55 . . . . 0.0 111.891 -170.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -101.11 158.04 16.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.139 0.976 . . . . 0.0 112.633 163.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.419 HG22 ' CD1' ' A' ' 112' ' ' LEU . 47.4 mt -129.12 110.47 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 129.037 2.935 . . . . 0.0 105.872 -157.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 11.7 mmpt? -122.89 -18.36 6.49 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -171.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.468 ' HB2' HG23 ' A' ' 48' ' ' THR . 7.3 m120 -78.38 110.75 13.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 120.402 1.455 . . . . 0.0 109.507 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -21.79 47.95 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 120.452 -1.405 . . . . 0.0 112.121 169.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -57.43 -33.07 67.53 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.023 172.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.587 HG22 ' HB ' ' A' ' 29' ' ' ILE . 6.2 p -70.96 -42.0 70.32 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 120.459 1.481 . . . . 0.0 109.08 177.265 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.8 -50.23 32.5 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.267 1.413 . . . . 0.0 111.282 171.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -30.62 67.07 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 118.123 -0.941 . . . . 0.0 113.396 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.58 -52.73 64.21 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 120.329 1.422 . . . . 0.0 108.753 167.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.425 HD13 ' HB2' ' A' ' 115' ' ' ALA . 41.8 mt -50.02 -45.36 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-N 119.624 1.102 . . . . 0.0 109.936 -176.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.1 ttp -61.63 -48.79 79.28 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.729 0.695 . . . . 0.0 111.639 174.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.9 t -56.01 -57.21 13.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.446 1.098 . . . . 0.0 112.167 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -49.58 -46.73 49.39 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.181 1.392 . . . . 0.0 111.817 172.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.1 m -53.11 -53.34 51.85 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.008 0.822 . . . . 0.0 111.222 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -50.1 -52.66 33.06 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.178 0.899 . . . . 0.0 110.771 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -63.93 -14.62 55.08 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -171.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -104.39 10.03 35.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 119.232 0.923 . . . . 0.0 111.583 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t30 58.47 36.36 25.27 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.922 1.689 . . . . 0.0 110.338 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 34.3 mtp -89.33 -6.44 56.69 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.789 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 171.043 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.0 tp . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -84.51 92.74 8.17 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.739 1.216 . . . . 0.0 109.658 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -50.42 -34.59 25.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -172.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.17 -72.25 0.67 Allowed Glycine 0 C--N 1.339 0.7 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -45.82 -41.69 11.35 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.077 1.351 . . . . 0.0 113.711 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.15 -50.37 61.88 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.454 0.702 . . . . 0.0 110.738 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 16.5 ttm -74.5 -30.82 61.96 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.925 1.29 . . . . 0.0 112.166 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -58.12 -52.16 66.7 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 173.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -49.17 -46.48 45.48 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 126.747 2.019 . . . . 0.0 109.136 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HB1' ' HB2' ' A' ' 87' ' ' ALA . . . -60.25 -65.15 0.73 Allowed 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 122.757 0.423 . . . . 0.0 110.427 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -56.44 -38.24 71.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.212 1.005 . . . . 0.0 109.736 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -53.71 -57.85 9.32 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 127.0 2.12 . . . . 0.0 111.789 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -74.35 -3.56 31.09 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.681 -0.676 . . . . 0.0 112.153 -171.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.06 4.62 12.31 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 127.025 2.25 . . . . 0.0 113.229 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.9 156.55 34.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 119.58 1.69 . . . . 0.0 112.056 -167.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.77 162.41 18.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 113.32 -1.764 . . . . 0.0 108.137 -176.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.4 -59.24 5.57 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.238 1.815 . . . . 0.0 111.268 -175.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.4 m -69.55 -30.97 68.9 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.691 -0.631 . . . . 0.0 110.489 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.425 ' O ' HD22 ' A' ' 90' ' ' LEU . 8.1 ttt -55.7 -59.49 4.78 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 170.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.409 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . . . -61.73 -33.17 73.56 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.085 -174.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -62.7 -46.9 85.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.872 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -49.62 -60.29 3.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.343 174.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.425 HD22 ' O ' ' A' ' 86' ' ' MET . 2.9 mm? -50.94 -47.09 61.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 120.026 1.285 . . . . 0.0 112.998 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.19 -39.11 80.68 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 118.744 -1.182 . . . . 0.0 109.713 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -60.31 -43.75 96.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 120.345 1.429 . . . . 0.0 110.693 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.422 HG21 ' HG2' ' A' ' 121' ' ' GLU . 3.3 mt -70.61 -47.58 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 118.625 0.648 . . . . 0.0 109.74 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.7 t -59.85 -60.79 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -56.53 -33.7 66.32 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.401 1.08 . . . . 0.0 109.357 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.42 -67.65 2.02 Favored Glycine 0 C--N 1.338 0.689 0 C-N-CA 126.353 1.93 . . . . 0.0 111.375 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.8 m -48.88 -36.16 16.42 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.024 1.729 . . . . 0.0 110.376 175.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.58 -13.0 2.05 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 121.643 2.02 . . . . 0.0 113.424 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.93 -43.04 2.36 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.293 1.406 . . . . 0.0 111.711 166.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 m -53.25 -38.25 62.82 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.958 1.303 . . . . 0.0 112.29 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -75.11 120.4 81.45 Favored Pre-proline 0 N--CA 1.447 -0.578 0 CA-C-N 118.577 0.626 . . . . 0.0 109.477 174.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -81.17 145.75 15.48 Favored 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 122.957 2.438 . . . . 0.0 108.879 170.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.07 164.3 38.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.755 0.822 . . . . 0.0 109.113 168.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.9 169.92 1.74 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.729 151.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -57.65 -9.32 1.13 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.232 2.213 . . . . 0.0 113.343 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.59 94.98 0.07 Allowed 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.957 -1.089 . . . . 0.0 108.155 173.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.542 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -54.75 -29.84 54.88 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.998 -1.064 . . . . 0.0 110.955 178.274 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.47 -57.02 13.83 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.18 -50.37 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.931 1.292 . . . . 0.0 109.188 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.542 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 35.9 t90 -51.5 -61.47 2.22 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 125.687 1.595 . . . . 0.0 111.083 178.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 m -62.58 -34.47 77.04 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.154 0.582 . . . . 0.0 111.503 -175.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.419 ' CD1' HG22 ' A' ' 43' ' ' ILE . 1.1 tp -57.89 -51.92 67.63 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.209 1.404 . . . . 0.0 109.351 169.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.36 -41.3 98.41 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.08 -0.844 . . . . 0.0 111.25 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.32 -51.42 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 124.094 0.958 . . . . 0.0 108.836 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -61.93 -31.24 71.55 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 118.813 -0.613 . . . . 0.0 111.406 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.4 m -68.88 -48.5 63.24 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.499 1.045 . . . . 0.0 111.378 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.9 p -67.33 -42.46 83.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.878 0.763 . . . . 0.0 110.515 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -58.41 -55.44 34.94 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.825 1.25 . . . . 0.0 110.729 176.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -43.15 -58.74 2.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.579 1.551 . . . . 0.0 109.634 175.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.53 -21.91 29.43 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -175.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.422 ' HG2' HG21 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -75.79 -44.99 38.6 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.168 1.387 . . . . 0.0 109.518 178.423 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 26.1 mm -59.02 -37.38 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 125.98 1.712 . . . . 0.0 108.08 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -59.6 -50.83 72.35 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.8 1.24 . . . . 0.0 112.64 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -48.83 -54.97 13.02 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 121.154 1.797 . . . . 0.0 110.826 172.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.91 -3.05 14.23 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.692 1.197 . . . . 0.0 113.397 -176.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.0 t30 56.95 22.81 7.57 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.877 2.071 . . . . 0.0 112.868 -178.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 50.8 m0 -73.25 12.0 0.65 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.161 1.385 . . . . 0.0 111.882 172.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.582 1.953 . . . . 0.0 107.052 176.229 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 117.682 -1.151 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -49.4 -50.35 40.79 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.001 1.381 . . . . 0.0 109.807 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.28 -39.02 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.533 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -46.42 74.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.926 0.89 . . . . 0.0 109.986 176.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -60.96 -46.3 91.25 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 117.706 -1.14 . . . . 0.0 110.966 175.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -66.27 -33.81 76.59 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.684 1.129 . . . . 0.0 112.607 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.82 -52.94 62.13 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 173.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -65.34 -0.35 1.8 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.167 1.387 . . . . 0.0 112.718 175.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 tp -101.27 -57.54 2.07 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.776 1.23 . . . . 0.0 109.037 174.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -63.94 -27.79 69.38 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.341 1.456 . . . . 0.0 112.294 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -57.56 -52.94 63.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 168.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.97 27.12 2.71 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.649 1.595 . . . . 0.0 114.201 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -67.02 -65.27 0.7 Allowed 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 119.637 1.719 . . . . 0.0 110.452 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.61 44.92 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.14 0.976 . . . . 0.0 110.939 -175.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -69.53 -55.57 9.81 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.042 -1.037 . . . . 0.0 110.06 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -68.54 -26.67 65.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.196 0.907 . . . . 0.0 111.114 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.96 -72.34 0.07 Allowed 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 124.441 1.096 . . . . 0.0 108.283 164.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.3 m -55.63 -26.84 46.44 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.806 1.242 . . . . 0.0 113.882 -177.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -62.95 -49.44 74.73 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.865 1.266 . . . . 0.0 109.922 170.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -72.63 -34.2 67.17 Favored 'General case' 0 N--CA 1.424 -1.734 0 C-N-CA 125.813 1.645 . . . . 0.0 109.93 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.41 -43.58 92.98 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 120.809 1.64 . . . . 0.0 110.531 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.8 mtm -121.17 7.18 10.24 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -167.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m 47.52 77.66 0.09 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.99 1.716 . . . . 0.0 110.309 -171.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.5 mt -114.9 140.15 49.21 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 106.201 -1.777 . . . . 0.0 106.201 176.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.1 p -82.21 -177.19 6.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.22 1.01 . . . . 0.0 110.939 -161.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -19.76 61.25 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 118.186 -0.911 . . . . 0.0 112.503 171.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.25 -24.74 67.77 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.046 1.294 . . . . 0.0 112.079 -171.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.0 pt -68.25 -24.52 29.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-O 118.335 -0.841 . . . . 0.0 111.455 174.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -66.9 -27.65 67.67 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 120.314 1.416 . . . . 0.0 108.634 172.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.0 -40.36 62.99 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 120.61 1.55 . . . . 0.0 109.964 171.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -65.81 -42.53 90.53 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 118.85 0.75 . . . . 0.0 110.105 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.96 -32.36 61.7 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.193 1.397 . . . . 0.0 112.67 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -62.44 1.54 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 170.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -70.39 -3.39 17.28 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 116.373 -1.775 . . . . 0.0 112.159 -176.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -43.62 -61.93 1.25 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 121.698 2.044 . . . . 0.0 110.518 -170.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.416 ' CH2' HG21 ' A' ' 122' ' ' ILE . 49.6 m95 -72.52 17.06 0.12 Allowed 'General case' 0 C--O 1.239 0.545 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -56.49 161.56 2.6 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 120.821 1.646 . . . . 0.0 109.111 167.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -58.87 111.67 1.37 Allowed 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 113.197 -1.82 . . . . 0.0 107.549 152.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.4 -6.96 62.39 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-O 117.254 -1.859 . . . . 0.0 117.077 159.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -50.41 132.12 24.75 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 120.77 2.285 . . . . 0.0 112.917 -171.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -102.49 141.17 35.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-O 122.729 1.252 . . . . 0.0 111.697 170.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.8 mt -113.24 120.17 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 -172.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.32 -16.54 7.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 118.887 -0.578 . . . . 0.0 111.802 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -59.95 105.15 0.36 Allowed 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -53.64 -25.52 18.19 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 123.239 0.616 . . . . 0.0 111.232 164.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.12 -32.83 68.49 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.32 1.048 . . . . 0.0 110.379 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.6 p -67.0 -46.76 73.55 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.16 -55.34 16.0 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 125.18 1.372 . . . . 0.0 110.662 174.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -40.69 93.24 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 122.13 -0.63 . . . . 0.0 111.951 177.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.86 -57.19 14.15 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.073 0.851 . . . . 0.0 109.699 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.0 mt -48.41 -45.73 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 126.889 2.076 . . . . 0.0 109.816 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 41.5 ttp -57.72 -53.94 52.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.423 0.689 . . . . 0.0 110.147 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.1 t -60.52 -38.84 85.69 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.196 0.599 . . . . 0.0 111.821 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.44 -52.24 66.06 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 176.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.83 -48.53 50.89 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.993 1.317 . . . . 0.0 109.901 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.431 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 2.6 m -51.86 -56.17 15.67 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -67.4 -16.75 64.41 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.292 1.437 . . . . 0.0 114.059 -170.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.37 6.64 19.27 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 120.55 1.523 . . . . 0.0 111.476 169.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t30 63.08 24.21 14.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.865 2.066 . . . . 0.0 111.356 -170.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 56.2 mtm -80.96 -5.29 57.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.947 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 57' ' ' THR . 1.9 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -175.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 C--O 1.234 0.251 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -78.59 96.15 5.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.168 1.387 . . . . 0.0 108.991 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -44.95 -54.17 6.83 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 126.63 1.972 . . . . 0.0 112.155 -177.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.89 -64.21 4.33 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 123.706 0.669 . . . . 0.0 111.851 -176.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -36.45 83.99 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 123.235 0.614 . . . . 0.0 112.365 -176.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.63 -47.16 77.08 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.163 0.585 . . . . 0.0 111.133 171.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ttm -69.43 -40.53 77.18 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.261 0.482 . . . . 0.0 111.289 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.83 -45.57 89.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 118.163 0.438 . . . . 0.0 109.864 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -53.36 -46.12 69.43 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.471 0.708 . . . . 0.0 110.305 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.09 -63.18 1.4 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.263 0.625 . . . . 0.0 111.094 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -55.46 -45.2 76.9 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 123.526 0.73 . . . . 0.0 110.214 -172.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -45.84 -49.06 15.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.77 1.628 . . . . 0.0 111.972 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -70.76 -11.77 61.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.631 -175.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.48 6.1 20.16 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.167 1.365 . . . . 0.0 112.2 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.95 152.22 46.15 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 119.068 1.434 . . . . 0.0 110.354 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.64 159.38 33.55 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 125.002 1.321 . . . . 0.0 109.346 170.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -59.85 -50.8 72.38 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 124.888 1.275 . . . . 0.0 111.572 169.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.5 m -61.46 -47.08 87.31 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.9 ttp -54.7 -55.2 32.38 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.74 70.39 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.852 -1.155 . . . . 0.0 112.577 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -54.33 31.24 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 117.938 -1.03 . . . . 0.0 108.613 172.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -48.66 -55.96 9.85 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.702 1.601 . . . . 0.0 110.989 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 mp -46.17 -54.35 8.84 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.05 1.34 . . . . 0.0 111.27 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.09 -37.57 72.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.43 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.22 -33.97 77.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 120.766 1.621 . . . . 0.0 111.67 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.407 HD13 ' CD ' ' A' ' 121' ' ' GLU . 23.8 mt -81.02 -52.53 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 C-N-CA 124.782 1.233 . . . . 0.0 109.006 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.0 t -56.72 -55.7 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 119.246 0.93 . . . . 0.0 108.558 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -59.28 -36.21 75.16 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.034 -1.041 . . . . 0.0 110.498 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.36 22.48 7.28 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 128.596 2.998 . . . . 0.0 113.578 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.7 m -130.17 -50.07 1.1 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 128.017 2.527 . . . . 0.0 105.927 168.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.64 -30.01 0.34 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 121.367 1.894 . . . . 0.0 115.023 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.36 -26.66 4.22 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.683 1.129 . . . . 0.0 112.818 171.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -35.37 79.97 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.177 0.898 . . . . 0.0 111.0 -178.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 m -63.95 122.82 79.45 Favored Pre-proline 0 N--CA 1.44 -0.97 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 173.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.72 145.45 32.63 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.91 1.74 . . . . 0.0 108.274 163.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -158.05 173.09 17.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 122.881 0.473 . . . . 0.0 110.398 177.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -63.66 173.94 1.54 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 162.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -69.64 -5.8 27.1 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.95 0.9 . . . . 0.0 112.587 158.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -64.82 100.26 0.39 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 167.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -33.55 9.47 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.837 1.655 . . . . 0.0 113.193 173.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 39.5 m -66.34 -46.55 76.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.003 0.82 . . . . 0.0 110.151 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.1 mm -63.9 -47.78 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.2 1.0 . . . . 0.0 108.559 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 34.3 t90 -48.56 -65.87 0.5 Allowed 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 125.904 1.681 . . . . 0.0 111.628 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 92.3 m -63.66 -23.93 67.58 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 118.846 -1.142 . . . . 0.0 111.617 -175.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -56.81 17.25 Favored 'General case' 0 C--N 1.343 0.314 0 O-C-N 120.774 -1.204 . . . . 0.0 109.843 171.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.61 96.39 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-O 119.279 -0.734 . . . . 0.0 111.417 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 38.0 t -56.72 -55.99 16.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 124.739 1.216 . . . . 0.0 107.965 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.94 -32.55 73.06 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 121.348 -0.845 . . . . 0.0 111.418 -177.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.4 m -74.0 -14.12 60.97 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.834 1.197 . . . . 0.0 112.209 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.6 p -83.87 -44.92 13.8 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.758 1.617 . . . . 0.0 110.919 161.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -58.16 -14.85 7.8 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 171.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -73.77 -63.01 1.3 Allowed 'General case' 0 C--O 1.224 -0.248 0 O-C-N 118.75 -2.469 . . . . 0.0 108.382 170.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.45 -43.95 68.5 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 124.555 1.142 . . . . 0.0 112.194 -166.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.407 ' CD ' HD13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -53.53 -41.88 66.86 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.084 1.354 . . . . 0.0 112.242 179.488 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.416 HG21 ' CH2' ' A' ' 37' ' ' TRP . 27.5 mm -64.13 -47.11 91.53 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -175.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -57.5 -43.27 84.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.07 0.548 . . . . 0.0 111.678 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.02 -49.5 77.66 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 120.036 1.289 . . . . 0.0 111.614 172.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.42 -2.95 2.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.653 1.181 . . . . 0.0 112.369 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 65.5 t30 51.89 36.22 17.67 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 126.562 1.945 . . . . 0.0 111.372 -174.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -87.65 2.45 50.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.722 1.609 . . . . 0.0 113.524 -170.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-N 119.598 1.09 . . . . 0.0 111.709 171.968 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 . . . . . 0 CA--C 1.534 0.363 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.965 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -52.22 -49.92 63.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.683 1.193 . . . . 0.0 112.198 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -73.3 -50.17 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.7 tpt -47.68 -52.36 18.53 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 125.789 1.636 . . . . 0.0 112.256 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.31 -55.85 18.74 Favored 'General case' 0 C--O 1.231 0.093 0 C-N-CA 125.635 1.574 . . . . 0.0 109.68 174.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -64.54 -34.72 78.9 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -175.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.59 -58.83 6.84 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.43 16.23 0.11 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.078 1.751 . . . . 0.0 112.816 -178.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 tt -119.54 -55.23 2.13 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 127.445 2.298 . . . . 0.0 107.59 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -53.7 -46.4 70.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 125.547 1.539 . . . . 0.0 110.82 171.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -46.7 -41.75 15.53 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.721 1.208 . . . . 0.0 111.413 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.16 10.4 73.2 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 118.08 -1.4 . . . . 0.0 114.986 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -63.78 1.18 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.265 2.033 . . . . 0.0 111.263 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.49 27.05 0.16 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.968 1.307 . . . . 0.0 112.182 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.486 ' HA ' HD21 ' A' ' 55' ' ' LEU . 19.9 tp -57.46 -56.69 18.61 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 124.65 1.18 . . . . 0.0 109.646 175.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.55 -32.89 74.48 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.634 0.774 . . . . 0.0 111.912 -171.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -59.46 -64.53 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.198 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -53.15 -34.66 57.8 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.474 1.11 . . . . 0.0 112.838 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HB3' ' HE2' ' A' ' 20' ' ' LYS . 28.9 mtpt -56.1 -61.43 2.39 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.824 172.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -34.76 78.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.599 1.09 . . . . 0.0 110.898 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.58 -33.9 70.48 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.3 0.954 . . . . 0.0 112.823 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.0 mtm -118.28 3.26 11.96 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.825 0.85 . . . . 0.0 112.52 -174.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.0 m 49.85 70.04 0.54 Allowed 'General case' 0 C--O 1.24 0.553 0 C-N-CA 125.259 1.424 . . . . 0.0 111.155 -166.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 mt -106.15 164.19 12.19 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 169.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -106.46 177.96 4.7 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.26 -154.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -11.18 45.34 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 121.181 -0.95 . . . . 0.0 112.874 170.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.25 -25.86 67.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.301 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 pt -64.62 -30.2 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 118.504 0.593 . . . . 0.0 111.238 172.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.67 -36.31 82.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -40.99 96.1 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.607 0.763 . . . . 0.0 110.778 173.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -55.62 32.0 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -61.24 -40.19 93.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.849 0.859 . . . . 0.0 111.477 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -62.34 -38.87 91.15 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.18 1.392 . . . . 0.0 112.031 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -98.07 13.45 30.96 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.059 1.344 . . . . 0.0 111.188 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.65 -29.51 70.08 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 119.557 -1.964 . . . . 0.0 111.577 -171.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -102.9 33.88 3.07 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 125.31 1.444 . . . . 0.0 112.58 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -70.23 -171.5 0.46 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.262 1.825 . . . . 0.0 111.66 170.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.77 24.79 10.07 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.575 1.95 . . . . 0.0 114.649 -171.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.77 20.4 0.03 OUTLIER Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.298 1.427 . . . . 0.0 112.78 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -65.53 161.5 20.03 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.431 1.092 . . . . 0.0 109.896 172.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.434 ' OE1' ' HE2' ' A' ' 44' ' ' LYS . 36.8 tt0 -141.02 144.93 35.29 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 126.669 1.988 . . . . 0.0 108.836 170.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.7 mt -113.3 114.02 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 129.355 3.062 . . . . 0.0 105.455 -174.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HE2' ' OE1' ' A' ' 42' ' ' GLU . 51.0 mtmt -138.19 0.05 2.09 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -72.87 122.98 22.5 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 120.871 1.669 . . . . 0.0 109.12 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -54.75 -30.79 57.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.499 -0.751 . . . . 0.0 111.009 168.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.09 -33.73 76.07 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 118.78 -0.628 . . . . 0.0 109.872 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.1 p -71.89 -38.99 69.9 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.088 0.858 . . . . 0.0 109.489 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -54.67 -50.16 58.67 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.21 0.909 . . . . 0.0 112.554 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -32.85 72.73 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 117.305 0.553 . . . . 0.0 111.963 176.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.11 -52.7 64.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 118.958 0.799 . . . . 0.0 109.803 174.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.0 mt -52.53 -49.57 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.836 1.655 . . . . 0.0 109.088 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.6 ttp -62.06 -43.14 99.49 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.891 0.769 . . . . 0.0 112.532 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 23.0 t -65.54 -38.14 88.75 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.64 -0.662 . . . . 0.0 110.632 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 16' ' ' LEU . 92.0 mt -57.49 -53.64 55.85 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 170.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.76 -42.4 35.45 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.38 0.991 . . . . 0.0 112.269 178.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.1 m -56.39 -63.93 1.03 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -63.18 -18.18 63.21 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 126.589 1.956 . . . . 0.0 112.942 -171.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.2 mt -84.95 7.88 19.63 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.609 1.164 . . . . 0.0 111.181 175.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.1 t30 54.55 34.89 22.22 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.092 1.757 . . . . 0.0 110.709 -172.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.8 mtm -95.5 -0.88 51.71 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.632 -0.667 . . . . 0.0 111.729 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -176.811 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -116.01 93.37 4.22 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 126.048 1.739 . . . . 0.0 108.229 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -47.2 -41.13 17.6 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.79 0.836 . . . . 0.0 113.048 -172.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -48.79 -76.34 0.16 Allowed Glycine 0 C--N 1.341 0.808 0 C-N-CA 124.49 1.043 . . . . 0.0 111.794 170.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -57.26 -32.77 66.92 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.008 1.404 . . . . 0.0 113.695 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.85 -55.91 26.94 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.946 1.248 . . . . 0.0 111.044 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.3 ttm -65.65 -39.23 91.18 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.299 1.039 . . . . 0.0 109.645 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.03 -56.93 14.83 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.871 1.668 . . . . 0.0 109.761 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.07 -48.35 44.2 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.114 0.966 . . . . 0.0 109.312 -175.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.77 -68.5 0.18 Allowed 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 123.772 0.829 . . . . 0.0 109.887 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -67.38 -16.75 64.42 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.159 1.383 . . . . 0.0 113.568 -170.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -66.77 -58.34 5.27 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 128.472 2.709 . . . . 0.0 109.804 167.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -73.06 -14.63 61.44 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 117.439 -1.267 . . . . 0.0 113.31 -170.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 134.19 5.51 2.67 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.782 1.182 . . . . 0.0 113.619 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.12 147.96 31.17 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 119.054 1.427 . . . . 0.0 111.27 -167.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.31 165.32 23.96 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 113.956 -1.474 . . . . 0.0 109.858 173.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -51.05 28.2 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.04 0.536 . . . . 0.0 110.85 -177.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.7 m -60.52 -41.75 95.02 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.547 0.612 . . . . 0.0 110.086 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.4 ttt -59.07 -44.96 91.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.699 0.8 . . . . 0.0 109.923 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.35 -37.31 83.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.284 -0.865 . . . . 0.0 111.561 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -55.55 33.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -51.95 -46.41 64.75 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.646 1.578 . . . . 0.0 111.321 175.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.53 -16.81 27.34 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 117.64 -1.171 . . . . 0.0 113.322 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -107.41 -35.99 3.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 117.548 -1.215 . . . . 0.0 111.092 172.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.22 -34.7 78.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 121.174 1.806 . . . . 0.0 111.421 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.79 -48.37 51.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.5 t -62.59 -66.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.932 1.293 . . . . 0.0 110.076 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -57.16 -27.26 61.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.735 1.614 . . . . 0.0 110.693 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.39 -62.61 4.72 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 173.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.8 m -58.9 -31.42 68.6 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.854 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -55.01 -12.25 0.81 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.16 1.345 . . . . 0.0 113.509 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -121.25 -47.35 2.26 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.367 1.867 . . . . 0.0 109.689 173.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 m -60.48 -47.99 83.73 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.006 1.722 . . . . 0.0 113.771 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.1 m -62.37 126.77 88.7 Favored Pre-proline 0 C--O 1.238 0.455 0 C-N-CA 124.197 0.999 . . . . 0.0 110.044 -172.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.9 129.33 14.19 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 122.478 2.119 . . . . 0.0 108.391 167.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.98 -177.24 5.12 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.994 1.718 . . . . 0.0 107.672 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.293 0.7 OUTLIER -109.12 171.7 7.28 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 163.268 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -52.81 -14.16 0.51 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.948 1.699 . . . . 0.0 113.504 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -68.04 94.26 0.48 Allowed 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.558 1.543 . . . . 0.0 110.291 172.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.421 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 5.7 mmpt? -54.66 -23.83 19.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.501 0.72 . . . . 0.0 112.705 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 62.7 m -59.24 -56.64 19.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.738 0.699 . . . . 0.0 110.081 169.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -41.22 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 124.583 1.153 . . . . 0.0 109.744 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.421 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 33.4 t90 -50.47 -62.07 1.81 Allowed 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 124.409 1.083 . . . . 0.0 111.088 172.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.9 m -63.26 -32.14 73.47 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.127 0.421 . . . . 0.0 111.742 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.43 -48.15 72.02 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.05 -1.031 . . . . 0.0 109.959 167.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.47 -46.23 86.43 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.085 -0.842 . . . . 0.0 111.544 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.53 -47.85 90.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.173 0.989 . . . . 0.0 109.73 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.29 -32.81 74.65 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.793 -1.192 . . . . 0.0 111.181 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.7 m -71.8 -45.54 61.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.394 -0.812 . . . . 0.0 112.117 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 21.4 p -62.0 -42.62 99.35 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.117 1.326 . . . . 0.0 109.0 176.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.585 ' CZ ' HD11 ' A' ' 122' ' ' ILE . 24.1 t80 -58.25 -47.9 82.12 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.6 1.16 . . . . 0.0 111.063 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -49.33 -50.79 38.09 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.99 0.916 . . . . 0.0 111.259 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.53 -38.39 59.61 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.22 0.464 . . . . 0.0 112.148 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -62.45 -42.55 99.54 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 118.911 0.778 . . . . 0.0 110.123 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.585 HD11 ' CZ ' ' A' ' 118' ' ' PHE . 7.6 mm -59.11 -37.25 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.476 1.51 . . . . 0.0 109.722 -177.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -62.93 -52.87 61.39 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.163 0.585 . . . . 0.0 110.363 172.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -45.78 88.88 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.044 -1.035 . . . . 0.0 112.208 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.22 -10.36 15.22 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.377 1.871 . . . . 0.0 112.083 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.3 t30 62.2 34.98 15.78 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.386 1.474 . . . . 0.0 111.167 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -89.18 19.19 4.43 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.402 1.881 . . . . 0.0 112.383 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 C-N-CA 124.939 1.295 . . . . 0.0 110.174 171.749 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 . . . . . 0 N--CA 1.471 0.616 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -48.83 -69.8 0.11 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.094 1.358 . . . . 0.0 109.074 172.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.8 p -65.97 -37.16 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 C-N-CA 123.906 0.882 . . . . 0.0 111.967 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -46.32 70.65 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.442 0.297 . . . . 0.0 110.682 -176.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -60.96 -48.92 79.57 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 121.35 -0.844 . . . . 0.0 110.772 173.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -62.66 -34.69 77.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -173.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.23 -56.03 27.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.282 1.433 . . . . 0.0 108.791 170.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 m -58.87 -32.0 69.07 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.0 tp -70.21 -49.92 45.33 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.489 1.516 . . . . 0.0 108.504 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -75.91 -29.56 58.46 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 114.173 -1.376 . . . . 0.0 111.52 -174.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.459 ' O ' HD22 ' A' ' 55' ' ' LEU . 89.6 t80 -56.73 -53.2 60.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 165.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.21 -1.68 7.79 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-O 118.433 -1.204 . . . . 0.0 115.255 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -57.49 -34.49 69.11 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 121.042 2.421 . . . . 0.0 112.642 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.42 10.42 41.42 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -54.55 -55.26 31.12 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 125.368 1.467 . . . . 0.0 108.203 -178.32 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -72.48 -30.24 64.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.051 -167.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.15 -60.52 3.62 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 m -54.28 -40.41 67.81 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.099 0.959 . . . . 0.0 109.409 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.454 ' HD2' HD21 ' A' ' 16' ' ' LEU . 4.2 mtpm? -53.4 -60.26 3.53 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 125.03 1.332 . . . . 0.0 109.206 176.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -69.65 -33.92 73.28 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 118.883 -1.127 . . . . 0.0 110.513 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -59.51 -33.33 71.22 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.638 1.175 . . . . 0.0 113.693 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.0 mtp -113.76 3.17 15.43 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.598 1.159 . . . . 0.0 111.146 -173.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m 42.46 78.92 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.134 1.773 . . . . 0.0 111.168 -161.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mt -117.49 154.42 31.46 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 106.76 -1.571 . . . . 0.0 106.76 168.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.1 p -93.53 161.13 14.49 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 123.372 0.669 . . . . 0.0 110.288 -161.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -67.73 -13.74 62.36 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.368 1.067 . . . . 0.0 111.862 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.8 -34.2 52.52 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 119.222 -0.418 . . . . 0.0 111.899 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 pt -79.82 -14.02 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.086 0.857 . . . . 0.0 112.808 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -62.29 -41.08 98.2 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 173.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -45.86 81.25 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.322 1.449 . . . . 0.0 110.816 170.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -70.15 -14.96 62.88 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.498 1.119 . . . . 0.0 112.402 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -100.47 -36.51 9.18 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.639 1.576 . . . . 0.0 111.844 175.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -68.12 -65.18 0.73 Allowed 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 126.897 2.079 . . . . 0.0 108.894 175.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -77.17 12.59 1.39 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.492 1.117 . . . . 0.0 111.19 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -54.48 -37.49 65.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 120.31 1.414 . . . . 0.0 109.871 173.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -97.03 66.11 2.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.67 1.588 . . . . 0.0 109.48 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.98 173.69 6.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 128.653 2.781 . . . . 0.0 110.532 167.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.23 49.5 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.097 1.359 . . . . 0.0 113.115 -170.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.25 52.56 0.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 107.865 -2.094 . . . . 0.0 107.865 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -88.66 147.39 24.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 162.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.75 134.4 55.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.783 0.801 . . . . 0.0 112.669 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.1 mt -113.7 107.8 23.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 127.671 2.388 . . . . 0.0 106.042 -167.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 -14.78 3.92 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.172 -0.918 . . . . 0.0 113.338 -175.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -64.63 122.52 17.03 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 120.346 1.43 . . . . 0.0 109.38 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -57.94 -25.9 61.54 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.731 -0.605 . . . . 0.0 110.596 175.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.15 -20.29 66.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.344 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 p -71.89 -48.31 46.58 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.911 1.232 . . . . 0.0 108.715 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 112' ' ' LEU . . . -56.47 -45.92 88.62 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 124.544 1.069 . . . . 0.0 111.994 -173.199 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -40.39 97.59 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.535 -0.333 . . . . 0.0 111.818 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.42 84.86 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.565 -0.709 . . . . 0.0 110.752 174.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.34 -43.91 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.717 0.807 . . . . 0.0 110.054 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -59.87 -49.83 76.15 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 119.347 0.976 . . . . 0.0 111.397 173.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.4 t -56.7 -43.13 80.25 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 117.964 0.347 . . . . 0.0 110.951 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.462 HD21 ' N ' ' A' ' 16' ' ' LEU . 71.8 mt -57.43 -56.36 22.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.097 174.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 m -49.8 -46.31 50.83 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.547 1.067 . . . . 0.0 112.0 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 m -51.76 -56.41 14.01 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.816 1.189 . . . . 0.0 110.186 170.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -61.38 -36.8 81.26 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.555 1.07 . . . . 0.0 112.14 -170.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.27 -21.79 66.77 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.836 0.744 . . . . 0.0 110.8 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.2 t30 63.94 100.14 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 127.09 2.156 . . . . 0.0 107.344 -150.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 26.1 mtm -148.28 4.83 0.72 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.285 1.034 . . . . 0.0 112.839 172.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.6 mt . . . . . 0 CA--C 1.53 0.188 0 CA-C-N 119.746 1.157 . . . . 0.0 108.115 175.657 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 121.987 0.899 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -78.88 90.64 4.72 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.049 0.94 . . . . 0.0 109.638 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -42.24 -42.08 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 126.095 1.758 . . . . 0.0 113.43 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.97 -73.85 0.42 Allowed Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.45 0.548 . . . . 0.0 112.595 173.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -56.62 -37.37 70.61 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.956 1.302 . . . . 0.0 113.088 -176.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.05 -53.42 57.19 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.594 1.557 . . . . 0.0 109.788 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.489 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 8.7 ttm -65.73 -36.43 83.57 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.573 0.749 . . . . 0.0 110.82 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -53.29 59.39 Favored 'General case' 0 N--CA 1.432 -1.373 0 C-N-CA 123.703 0.801 . . . . 0.0 110.227 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -53.67 -39.84 65.44 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.068 0.547 . . . . 0.0 110.192 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.35 -67.77 0.32 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.442 0.697 . . . . 0.0 110.52 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.489 ' HE2' ' SD ' ' A' ' 74' ' ' MET . 0.9 OUTLIER -57.6 -34.24 69.05 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.838 -0.539 . . . . 0.0 111.008 -175.314 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -52.44 -43.09 64.68 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.4 1.88 . . . . 0.0 112.166 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -84.54 2.18 42.41 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.821 0.737 . . . . 0.0 111.636 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.52 23.34 34.11 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-N 119.315 0.961 . . . . 0.0 112.294 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.67 146.42 30.85 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.616 1.708 . . . . 0.0 107.809 169.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.4 162.24 28.55 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 174.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.08 -58.99 4.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.387 1.475 . . . . 0.0 111.446 -173.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.3 m -61.8 -34.55 76.1 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.328 0.651 . . . . 0.0 109.66 175.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.557 ' O ' HD22 ' A' ' 90' ' ' LEU . 8.7 ttt -54.15 -59.41 4.69 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 176.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.75 73.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 117.172 -1.394 . . . . 0.0 112.379 -175.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -58.87 -50.94 72.1 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.011 0.823 . . . . 0.0 110.224 170.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -52.75 -56.2 17.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 124.955 1.302 . . . . 0.0 111.427 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 86' ' ' MET . 1.1 mm? -53.7 -39.12 64.91 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 120.365 1.439 . . . . 0.0 112.842 177.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mt -73.19 -38.28 54.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-N 120.177 1.353 . . . . 0.0 111.468 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.29 -34.84 77.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 120.828 1.649 . . . . 0.0 110.375 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mt -72.69 -57.13 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.279 1.031 . . . . 0.0 109.249 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.9 t -58.39 -56.81 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 124.384 1.074 . . . . 0.0 110.075 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -56.08 -38.38 70.6 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.45 0.7 . . . . 0.0 109.163 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.27 17.6 9.74 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 127.582 2.515 . . . . 0.0 113.057 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 22.2 m -126.59 -34.74 2.41 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 116.555 -1.688 . . . . 0.0 110.2 166.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.63 -24.01 0.48 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 121.903 2.138 . . . . 0.0 115.657 -177.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 -25.28 1.93 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 120.124 -1.61 . . . . 0.0 112.91 176.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.446 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . 59.8 m -60.04 -46.29 90.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.09 1.756 . . . . 0.0 111.781 170.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.9 m -73.81 122.37 87.42 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 125.479 1.512 . . . . 0.0 108.541 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -76.07 145.31 27.79 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.103 2.535 . . . . 0.0 110.858 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.99 -174.82 5.11 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.465 1.506 . . . . 0.0 110.093 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -179.54 3.98 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.25 1.02 . . . . 0.0 110.155 171.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -10.61 11.2 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 125.576 1.55 . . . . 0.0 112.791 171.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.46 92.03 0.8 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 166.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -54.48 -26.94 34.32 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 124.31 1.044 . . . . 0.0 111.53 173.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 63.7 m -54.67 -55.13 32.94 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 171.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.6 mt -63.83 -44.78 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 125.312 1.445 . . . . 0.0 109.534 -175.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -51.5 -60.27 3.33 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.696 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.5 m -69.67 -23.23 63.43 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.402 1.001 . . . . 0.0 112.369 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.44 ' HB2' ' HA3' ' A' ' 49' ' ' GLY . 2.1 tp -58.76 -50.64 73.2 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.663 -1.273 . . . . 0.0 108.622 164.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.83 -51.87 46.4 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.773 1.178 . . . . 0.0 111.298 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.27 -30.38 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 C-N-CA 124.456 1.102 . . . . 0.0 110.822 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.86 -36.25 56.9 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.614 -1.304 . . . . 0.0 112.203 171.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.8 m -71.54 -47.36 55.65 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.414 1.085 . . . . 0.0 110.579 -172.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 26.3 p -57.05 -48.58 78.19 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 175.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.402 ' CZ ' HD11 ' A' ' 122' ' ' ILE . 88.9 t80 -57.81 -50.06 74.56 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.663 1.985 . . . . 0.0 110.329 -178.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.08 -52.02 9.53 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.777 1.631 . . . . 0.0 110.392 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.37 -25.0 68.09 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.22 -34.54 49.25 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.187 0.995 . . . . 0.0 110.507 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.402 HD11 ' CZ ' ' A' ' 118' ' ' PHE . 3.0 mm -64.5 -42.29 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -53.14 -55.81 21.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.655 0.782 . . . . 0.0 111.429 166.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -49.83 -51.63 38.46 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.668 1.576 . . . . 0.0 112.071 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.2 mt -69.33 -6.76 31.72 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.709 1.203 . . . . 0.0 112.393 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 51.3 t30 54.64 26.1 7.08 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.138 2.175 . . . . 0.0 111.847 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -79.81 31.72 0.25 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.057 1.343 . . . . 0.0 112.551 -178.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.832 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 175.915 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.271 2.2 mm-40 . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -49.85 -68.99 0.13 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.061 1.344 . . . . 0.0 111.637 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.07 -33.34 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.977 0.911 . . . . 0.0 111.063 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -50.33 74.38 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.76 0.824 . . . . 0.0 110.71 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -60.1 -45.94 91.26 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.7 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -57.76 -40.99 81.04 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.599 1.16 . . . . 0.0 111.921 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mt -66.67 -47.94 70.88 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.674 1.19 . . . . 0.0 109.877 174.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t -72.81 19.83 0.08 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.943 1.697 . . . . 0.0 111.764 173.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -129.07 -51.6 1.21 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 126.04 1.736 . . . . 0.0 108.599 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -60.93 -27.09 67.95 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.796 1.238 . . . . 0.0 112.344 174.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -53.8 -65.57 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.274 1.829 . . . . 0.0 108.334 170.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.45 36.2 2.43 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 120.987 -1.071 . . . . 0.0 113.28 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -66.35 -62.66 1.35 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.618 1.709 . . . . 0.0 109.428 169.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.79 22.36 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.638 1.575 . . . . 0.0 113.355 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.05 -50.26 72.68 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 120.871 -1.143 . . . . 0.0 110.448 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.45 -35.89 72.83 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.232 0.924 . . . . 0.0 112.535 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.66 -67.02 0.4 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 173.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 70.3 m -48.59 -43.04 35.67 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.457 0.703 . . . . 0.0 111.986 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HG2' HD11 ' A' ' 29' ' ' ILE . 21.3 mtpp -51.57 -54.73 24.47 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.626 1.57 . . . . 0.0 111.105 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -82.24 -19.84 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.064 0.393 . . . . 0.0 110.993 -175.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.43 -27.75 63.5 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.182 0.993 . . . . 0.0 112.971 173.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.5 mtp -118.24 -14.71 9.83 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.263 1.025 . . . . 0.0 112.218 -171.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.0 m 57.36 87.92 0.06 Allowed 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.574 1.55 . . . . 0.0 109.779 -156.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.7 mt -119.53 139.63 51.8 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 167.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.8 p -67.35 164.12 19.24 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 125.044 1.337 . . . . 0.0 111.422 -170.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -22.41 65.75 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.176 -0.952 . . . . 0.0 111.059 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.65 -22.74 64.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -176.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.475 HD11 ' HG2' ' A' ' 20' ' ' LYS . 2.3 pt -72.58 -26.16 23.67 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 CA-C-O 117.663 -1.16 . . . . 0.0 111.941 174.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -60.28 -47.55 85.51 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 120.261 1.391 . . . . 0.0 107.325 173.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.427 ' HG3' HD22 ' A' ' 35' ' ' ASN . 2.8 tt0 -59.04 -44.05 91.72 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.543 1.137 . . . . 0.0 110.386 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.0 -57.78 11.19 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.699 0.399 . . . . 0.0 110.028 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.6 -45.19 81.55 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.399 1.48 . . . . 0.0 111.809 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -62.0 -48.84 78.51 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.887 1.275 . . . . 0.0 110.281 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.427 HD22 ' HG3' ' A' ' 31' ' ' GLU . 73.9 m-80 -91.54 2.19 56.61 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 117.542 -1.218 . . . . 0.0 112.36 -173.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -50.27 -38.28 40.29 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 120.649 1.568 . . . . 0.0 112.683 -168.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.464 ' CH2' HG21 ' A' ' 122' ' ' ILE . 39.8 m95 -82.81 26.44 0.59 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.579 1.552 . . . . 0.0 114.477 176.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -72.18 168.17 18.78 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 126.13 1.772 . . . . 0.0 109.558 167.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -96.72 24.67 5.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -167.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.91 30.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.673 0 C-N-CA 124.795 1.188 . . . . 0.0 111.765 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -72.35 131.18 42.31 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.956 0.878 . . . . 0.0 108.921 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -101.28 138.06 38.81 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.773 0.829 . . . . 0.0 112.557 169.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -115.08 103.48 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 -164.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -137.27 4.48 2.68 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -63.84 93.46 0.08 Allowed 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 158.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.425 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 51.8 ttt-85 -46.23 -30.82 2.15 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.176 1.391 . . . . 0.0 113.355 174.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.7 -24.29 65.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.858 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.6 p -69.04 -41.92 77.03 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 119.765 1.166 . . . . 0.0 108.455 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.08 -47.07 75.56 Favored Glycine 0 C--N 1.335 0.522 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -30.64 63.83 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.894 -1.05 . . . . 0.0 113.449 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.52 -55.39 35.49 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 121.26 1.845 . . . . 0.0 108.799 167.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.2 mt -49.74 -42.21 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 125.466 1.507 . . . . 0.0 109.332 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 39.0 ttp -61.65 -55.99 24.63 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.216 1.006 . . . . 0.0 112.75 172.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.24 -58.18 7.95 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.126 0.971 . . . . 0.0 111.311 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -48.4 -49.15 36.01 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 125.847 1.659 . . . . 0.0 111.364 172.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.2 m -51.24 -50.42 59.21 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.081 1.31 . . . . 0.0 112.535 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -53.22 -50.15 65.3 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.774 1.17 . . . . 0.0 110.444 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -63.19 -18.22 63.25 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -173.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.08 2.24 55.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.388 1.904 . . . . 0.0 111.974 171.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.2 t30 66.08 36.25 5.82 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 128.171 2.589 . . . . 0.0 113.162 -168.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 47.9 mtm -95.65 8.89 42.12 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.981 -1.074 . . . . 0.0 112.281 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--O 1.238 0.468 0 CA-C-N 120.365 1.439 . . . . 0.0 108.702 176.199 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 tt . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.13 85.99 2.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.696 1.198 . . . . 0.0 108.868 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -50.75 -36.61 37.45 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 125.615 1.566 . . . . 0.0 111.975 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.1 -68.53 1.37 Allowed Glycine 0 CA--C 1.523 0.558 0 C-N-CA 124.401 1.0 . . . . 0.0 112.02 170.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -29.12 70.4 Favored 'General case' 0 CA--C 1.53 0.205 0 O-C-N 122.217 -0.578 . . . . 0.0 111.589 -176.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.13 97.61 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.537 1.135 . . . . 0.0 111.209 173.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.3 ttm -69.57 -38.53 77.43 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.441 -0.787 . . . . 0.0 111.389 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.92 -47.6 84.43 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -52.14 -45.52 65.03 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.982 1.313 . . . . 0.0 110.121 174.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.85 -58.52 7.63 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 124.233 1.013 . . . . 0.0 110.712 -177.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.9 mppp? -59.55 -43.91 93.41 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.332 0.653 . . . . 0.0 109.425 -177.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -46.1 -55.75 6.56 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.458 1.503 . . . . 0.0 111.105 173.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -75.62 -7.78 55.13 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 117.772 -1.108 . . . . 0.0 113.577 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.35 8.02 33.9 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 120.279 1.4 . . . . 0.0 114.691 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.42 159.36 21.49 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.369 1.585 . . . . 0.0 109.05 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.68 171.48 14.97 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.958 0.409 . . . . 0.0 110.624 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -53.18 59.15 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.469 1.107 . . . . 0.0 108.594 172.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.3 m -58.04 -50.68 72.59 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.86 1.264 . . . . 0.0 108.866 -175.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.6 ttp -59.89 -49.36 77.99 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.316 1.046 . . . . 0.0 110.626 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.8 -29.7 69.71 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 120.015 1.279 . . . . 0.0 112.833 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -60.63 -50.87 71.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.25 169.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -56.98 -44.35 82.61 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.752 1.221 . . . . 0.0 111.776 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.9 mt -63.62 -16.45 60.94 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.233 1.013 . . . . 0.0 112.684 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mp -99.6 -41.23 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.053 167.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.35 -44.47 80.13 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 120.87 1.668 . . . . 0.0 111.184 -176.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 55.4 mt -70.04 -53.66 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.43 1.092 . . . . 0.0 108.889 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.23 -56.97 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 124.258 1.023 . . . . 0.0 110.151 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -51.81 -42.21 62.33 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.451 1.5 . . . . 0.0 108.321 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.79 -52.75 40.36 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 125.423 1.487 . . . . 0.0 112.406 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 11.6 m -68.86 -30.86 69.47 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 116.061 -1.924 . . . . 0.0 112.903 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -15.09 0.66 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 122.26 2.3 . . . . 0.0 115.883 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.43 -29.44 2.44 Favored 'General case' 0 N--CA 1.461 0.083 0 C-N-CA 125.675 1.59 . . . . 0.0 113.131 175.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.19 -53.11 49.65 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.704 0.802 . . . . 0.0 112.2 172.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.8 m -55.51 116.85 12.89 Favored Pre-proline 0 N--CA 1.451 -0.41 0 C-N-CA 125.248 1.419 . . . . 0.0 109.744 -171.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.39 129.1 11.7 Favored 'Trans proline' 0 N--CA 1.444 -1.402 0 C-N-CA 122.154 1.903 . . . . 0.0 108.477 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -139.32 170.22 16.33 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.718 1.207 . . . . 0.0 109.317 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -80.59 -175.0 4.99 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 163.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -5.53 6.24 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.573 -0.704 . . . . 0.0 112.225 166.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -70.05 95.32 0.95 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.358 1.063 . . . . 0.0 109.31 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.6 ' HE3' ' CE3' ' A' ' 110' ' ' TRP . 2.3 mmmt -53.01 -27.77 20.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.54 -1.219 . . . . 0.0 112.992 178.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 34.1 m -61.42 -50.47 72.68 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.783 1.174 . . . . 0.0 108.598 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.0 mm -60.42 -47.83 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 126.059 1.744 . . . . 0.0 109.164 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.6 ' CE3' ' HE3' ' A' ' 107' ' ' LYS . 27.0 t90 -50.7 -63.66 1.06 Allowed 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 124.493 1.117 . . . . 0.0 110.696 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.8 m -60.14 -31.33 69.98 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.03 0.932 . . . . 0.0 110.784 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -60.76 -53.83 52.57 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 125.092 1.357 . . . . 0.0 111.142 172.472 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.36 -44.02 95.39 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 40.4 t -57.38 -42.61 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 117.441 0.62 . . . . 0.0 110.767 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.3 71.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.878 -1.139 . . . . 0.0 111.989 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.3 m -73.1 -41.92 63.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.618 0.767 . . . . 0.0 110.904 -172.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.7 p -65.15 -45.77 83.63 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.243 0.929 . . . . 0.0 109.288 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -56.64 -52.36 65.17 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.999 1.719 . . . . 0.0 110.675 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -47.65 -54.42 12.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.44 1.018 . . . . 0.0 110.067 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.96 -35.11 72.62 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.91 -42.08 99.66 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 121.301 -0.874 . . . . 0.0 110.435 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.464 HG21 ' CH2' ' A' ' 37' ' ' TRP . 15.7 mm -56.6 -47.16 82.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 119.541 1.064 . . . . 0.0 109.824 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -56.81 -43.94 81.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.046 0.538 . . . . 0.0 110.888 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -40.34 94.9 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.075 1.35 . . . . 0.0 108.556 -178.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 38.3 mt -71.74 -3.57 22.74 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.875 -176.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 36.6 t30 54.95 22.97 4.67 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 128.516 2.726 . . . . 0.0 111.605 -167.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -73.24 9.89 1.14 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.625 1.57 . . . . 0.0 112.298 175.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 1 C-N-CA 133.822 4.849 . . . . 0.0 110.861 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -43.77 -64.85 0.58 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 129.704 3.201 . . . . 0.0 112.352 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.614 HG12 ' CD1' ' A' ' 8' ' ' LEU . 6.8 t -56.72 -45.71 82.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 C-N-CA 123.976 0.911 . . . . 0.0 108.566 175.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -39.57 74.65 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.02 -1.05 . . . . 0.0 110.191 -175.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -56.03 -55.06 37.37 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 118.893 0.77 . . . . 0.0 109.763 171.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -48.11 -49.07 33.31 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.292 1.837 . . . . 0.0 110.129 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.614 ' CD1' HG12 ' A' ' 4' ' ' VAL . 7.1 mp -54.01 -57.41 11.14 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.413 1.085 . . . . 0.0 109.518 177.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 p -64.41 -22.73 67.05 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.18 -62.82 1.22 Allowed 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.441 ' HA ' ' HG2' ' A' ' 14' ' ' LYS . 9.6 m-80 -77.24 -20.44 55.22 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 114.295 -1.321 . . . . 0.0 111.02 -169.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -57.26 -62.25 1.9 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.358 1.063 . . . . 0.0 109.175 164.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.47 12.32 3.54 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 118.597 -1.113 . . . . 0.0 114.206 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' A' ' 11' ' ' ASN . 21.1 mmtp -56.77 -52.13 66.22 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.503 2.151 . . . . 0.0 110.678 174.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.32 17.78 0.61 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.709 1.204 . . . . 0.0 112.417 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tp -56.7 -53.51 56.9 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 120.151 1.341 . . . . 0.0 109.996 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.56 -31.54 69.78 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 118.289 0.495 . . . . 0.0 111.804 -173.337 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -54.22 -60.83 2.81 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 168.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.2 m -59.38 -31.25 69.05 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.778 1.231 . . . . 0.0 113.12 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.15 -56.69 16.21 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 172.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -76.42 -26.39 55.47 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 118.965 0.802 . . . . 0.0 111.526 -171.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.26 -35.29 67.27 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 125.99 1.716 . . . . 0.0 112.506 175.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mtm -130.99 1.88 4.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.277 0.631 . . . . 0.0 111.89 -169.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.3 m 44.72 84.2 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.288 1.435 . . . . 0.0 110.75 -158.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 mt -108.18 136.44 47.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 164.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.3 p -60.93 161.47 8.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.051 0.844 . . . . 0.0 112.587 -171.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -23.43 67.22 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 122.929 0.492 . . . . 0.0 111.69 164.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.68 -16.26 60.56 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -173.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pt -72.26 -21.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.97 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -57.22 -43.37 82.78 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -59.96 -51.18 70.78 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.89 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -65.28 -16.61 63.75 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.752 1.16 . . . . 0.0 112.263 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -92.68 -48.59 6.51 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 125.912 1.685 . . . . 0.0 110.812 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.61 -50.48 71.87 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.37 2.268 . . . . 0.0 110.089 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -93.36 6.13 49.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.452 2.301 . . . . 0.0 111.884 -176.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -50.08 -34.14 20.78 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.621 1.1 . . . . 0.0 110.509 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -94.98 17.88 13.07 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.521 1.928 . . . . 0.0 114.822 -174.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.95 165.56 8.67 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.975 -1.078 . . . . 0.0 109.865 168.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -89.09 24.5 2.1 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 125.086 1.354 . . . . 0.0 114.344 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.99 17.39 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 C-N-CA 123.806 0.717 . . . . 0.0 112.614 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.46 129.78 38.71 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 118.33 1.065 . . . . 0.0 109.766 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -97.1 134.99 39.72 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.755 174.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.5 mt -113.87 110.19 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.01 4.24 4.11 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.661 0.784 . . . . 0.0 112.011 175.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.531 ' HB3' HG23 ' A' ' 48' ' ' THR . 32.0 t-20 -62.2 110.28 1.57 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.822 1.649 . . . . 0.0 109.197 173.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.411 ' HE ' HD11 ' A' ' 109' ' ' ILE . 32.0 ttm105 -61.08 -26.68 67.81 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 121.146 -0.971 . . . . 0.0 111.08 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.62 -31.39 70.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.714 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.531 HG23 ' HB3' ' A' ' 45' ' ' ASN . 40.2 p -71.13 -40.73 71.24 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 119.454 1.024 . . . . 0.0 108.54 -176.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA3' ' HB2' ' A' ' 112' ' ' LEU . . . -57.75 -45.7 93.11 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 177.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.77 -28.65 61.77 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 176.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.5 -49.97 71.46 Favored 'General case' 0 C--O 1.227 -0.097 0 CA-C-N 119.412 1.005 . . . . 0.0 109.816 171.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.31 -41.68 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 124.61 1.164 . . . . 0.0 109.358 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -61.99 -52.14 65.2 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.959 0.799 . . . . 0.0 110.727 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.0 t -56.4 -45.31 80.7 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.606 -1.309 . . . . 0.0 111.046 178.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.4 -45.34 93.55 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.298 -0.877 . . . . 0.0 111.088 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.7 m -49.95 -55.95 12.5 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.051 1.34 . . . . 0.0 110.584 172.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 m -50.23 -56.61 10.41 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.006 0.922 . . . . 0.0 110.355 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -62.23 -13.45 28.15 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.25 1.42 . . . . 0.0 112.177 -173.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.6 mt -102.8 9.08 39.21 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.057 1.343 . . . . 0.0 110.864 176.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 44.05 49.42 7.43 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 129.34 3.056 . . . . 0.0 112.32 -163.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -93.87 29.54 2.06 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 121.753 -0.592 . . . . 0.0 111.185 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 62' ' ' LEU . 15.4 mt . . . . . 0 CA--C 1.513 -0.459 0 O-C-N 121.518 -0.739 . . . . 0.0 109.138 173.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -79.57 84.31 5.45 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.459 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -53.65 -33.43 55.18 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.574 1.55 . . . . 0.0 112.565 175.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.13 -58.33 15.13 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 123.261 0.458 . . . . 0.0 112.064 170.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -23.26 62.66 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.385 -1.068 . . . . 0.0 111.467 -176.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.92 -54.5 15.13 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.464 1.505 . . . . 0.0 110.529 173.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.8 ttm -59.68 -35.52 74.63 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.681 0.673 . . . . 0.0 110.997 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -58.99 -43.58 91.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.14 174.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -54.6 -47.95 72.74 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.86 10.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.4 0.68 . . . . 0.0 111.325 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -22.35 64.93 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.139 0.881 . . . . 0.0 111.517 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -66.29 -50.22 64.43 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 125.215 1.406 . . . . 0.0 110.186 167.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -76.4 -9.05 58.35 Favored 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -164.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.03 7.05 27.51 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 119.625 1.102 . . . . 0.0 112.888 -173.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.97 166.09 17.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 119.329 1.564 . . . . 0.0 110.892 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -96.41 167.47 11.15 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.174 1.789 . . . . 0.0 108.808 -170.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -50.9 66.98 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.298 1.039 . . . . 0.0 111.383 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -62.68 -48.02 81.11 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 123.557 0.743 . . . . 0.0 109.369 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 ttp -55.79 -46.24 78.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.578 0.751 . . . . 0.0 109.824 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.64 84.64 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.451 -0.785 . . . . 0.0 112.029 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -69.02 -38.38 79.17 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.522 -1.228 . . . . 0.0 110.727 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -56.79 -49.11 76.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 120.469 1.486 . . . . 0.0 111.343 174.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.05 -17.47 57.49 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.667 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.1 mt -96.73 -40.57 10.57 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 119.98 1.264 . . . . 0.0 111.511 170.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.6 -43.56 84.78 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 119.607 1.094 . . . . 0.0 110.21 -174.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.2 mt -76.1 -40.87 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.149 0.98 . . . . 0.0 109.426 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.19 -55.7 15.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 124.218 1.007 . . . . 0.0 110.406 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.44 -40.69 71.84 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.128 1.371 . . . . 0.0 108.428 176.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.72 15.05 2.34 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 127.366 2.412 . . . . 0.0 114.639 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.8 m -127.78 -29.02 2.64 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 125.739 1.616 . . . . 0.0 110.335 169.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -50.71 -26.03 5.03 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 122.226 2.285 . . . . 0.0 115.567 -175.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -33.46 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.743 1.217 . . . . 0.0 110.7 177.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.7 m -56.86 -46.96 81.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 127.331 2.252 . . . . 0.0 112.848 173.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.2 m -65.78 118.86 55.77 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 174.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.95 135.04 22.57 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.667 2.245 . . . . 0.0 107.8 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.35 -174.89 4.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.777 0.799 . . . . 0.0 111.18 -175.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -128.1 -179.17 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 127.118 2.167 . . . . 0.0 107.65 167.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.61 -10.37 26.0 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.526 1.13 . . . . 0.0 112.923 -174.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.499 ' HB3' ' H ' ' A' ' 109' ' ' ILE . 3.0 m-20 -65.82 96.01 0.27 Allowed 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 165.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.5 mmpp? -51.75 -26.96 10.58 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.066 163.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 17.1 m -59.92 -57.42 12.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.144 0.884 . . . . 0.0 108.966 170.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.499 ' H ' ' HB3' ' A' ' 106' ' ' ASP . 7.2 mm -62.65 -46.06 97.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 125.602 1.561 . . . . 0.0 109.512 -172.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -49.32 -64.13 0.9 Allowed 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 125.217 1.407 . . . . 0.0 109.514 173.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.3 m -60.59 -39.33 87.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.53 0.732 . . . . 0.0 110.795 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.451 ' HB2' ' HA3' ' A' ' 49' ' ' GLY . 6.1 tp -55.97 -46.91 78.48 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 124.343 1.057 . . . . 0.0 109.236 173.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.55 93.33 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.865 0.745 . . . . 0.0 111.362 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.06 -19.84 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 124.512 1.125 . . . . 0.0 110.871 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.64 -37.75 14.4 Favored 'General case' 0 C--O 1.225 -0.22 0 O-C-N 120.763 -1.21 . . . . 0.0 111.831 169.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 34.6 m -73.22 -35.08 66.23 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.915 1.234 . . . . 0.0 111.272 -173.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 22.7 p -58.23 -56.24 24.64 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.544 1.066 . . . . 0.0 108.27 170.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -61.08 -46.97 88.45 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 128.855 2.862 . . . . 0.0 111.893 -171.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -41.68 -57.63 2.24 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 125.716 1.606 . . . . 0.0 108.654 172.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.12 -11.0 60.58 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.463 -170.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -85.23 -33.03 22.31 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 120.48 1.491 . . . . 0.0 112.377 168.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.409 HG23 ' HB2' ' A' ' 127' ' ' TRP . 11.8 mm -55.12 -43.33 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 167.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -59.0 -45.41 90.72 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.129 0.972 . . . . 0.0 112.915 175.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -48.32 77.63 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 121.997 2.181 . . . . 0.0 111.483 173.203 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.26 -22.57 63.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.431 1.092 . . . . 0.0 110.599 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 52.5 t30 66.85 49.72 1.17 Allowed 'General case' 0 C--O 1.237 0.414 0 C-N-CA 129.086 2.955 . . . . 0.0 110.485 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.409 ' HB2' HG23 ' A' ' 122' ' ' ILE . 52.3 m0 -105.11 18.31 22.56 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.217 1.407 . . . . 0.0 114.235 -173.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 CA-C-N 121.082 1.765 . . . . 0.0 111.523 176.198 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 . . . . . 0 C--O 1.225 -0.23 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -47.55 -64.17 0.86 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.278 1.031 . . . . 0.0 109.904 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.1 p -84.02 -35.68 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 123.391 0.676 . . . . 0.0 112.396 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -41.63 76.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.956 -0.465 . . . . 0.0 111.024 -176.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -40.07 86.77 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 120.555 -1.341 . . . . 0.0 109.897 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -56.3 -49.55 73.97 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 127.016 2.126 . . . . 0.0 111.186 169.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.9 mt -59.71 -54.02 51.2 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.098 -1.001 . . . . 0.0 108.644 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.2 m -59.31 -14.45 11.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.904 1.282 . . . . 0.0 113.428 174.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.3 -66.55 0.9 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.43 -4.27 47.49 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -169.036 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -43.26 -54.6 4.47 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.146 0.978 . . . . 0.0 109.815 153.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.1 43.28 2.94 Favored Glycine 0 C--N 1.336 0.534 0 O-C-N 121.066 -1.021 . . . . 0.0 113.524 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -53.91 18.06 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.965 1.882 . . . . 0.0 109.295 171.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.12 25.69 0.16 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.87 1.268 . . . . 0.0 113.396 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 tp -62.95 -56.09 20.2 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.577 1.151 . . . . 0.0 111.58 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -29.55 70.23 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.56 -52.07 35.85 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.4 m -55.43 -38.61 69.22 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.087 0.955 . . . . 0.0 111.454 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -58.79 -63.27 1.35 Allowed 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.85 1.26 . . . . 0.0 109.019 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.49 -28.13 69.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 119.483 1.038 . . . . 0.0 112.581 -177.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -60.32 -58.43 8.55 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.484 1.114 . . . . 0.0 111.618 175.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.0 mtm -101.82 -0.3 34.44 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.003 0.521 . . . . 0.0 112.224 -169.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.7 m 58.97 81.8 0.16 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.411 2.285 . . . . 0.0 110.592 -171.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -115.39 129.19 56.5 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.8 p -69.42 166.53 18.51 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.221 1.008 . . . . 0.0 110.929 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -11.11 60.44 Favored 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 121.193 -0.942 . . . . 0.0 112.63 174.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.3 -28.74 68.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.199 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.486 HG22 HG22 ' A' ' 48' ' ' THR . 1.4 pt -68.67 -29.8 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 124.631 1.172 . . . . 0.0 110.345 176.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.39 -17.77 64.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.19 -0.944 . . . . 0.0 110.295 173.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.5 -55.1 8.51 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 120.39 1.45 . . . . 0.0 107.325 166.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.481 ' CG ' HG21 ' A' ' 48' ' ' THR . 2.4 p30 -75.29 -27.95 59.55 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 119.241 0.928 . . . . 0.0 112.126 -164.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -65.99 -45.98 79.68 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.233 0.924 . . . . 0.0 111.066 165.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -60.79 -49.33 77.92 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 119.697 1.135 . . . . 0.0 109.411 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.99 -4.74 48.54 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 126.251 1.821 . . . . 0.0 111.576 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -52.07 -44.69 64.46 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 121.501 1.955 . . . . 0.0 112.091 -165.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.3 m95 -82.86 38.51 0.58 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.363 1.065 . . . . 0.0 112.622 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 170.49 10.16 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.976 1.71 . . . . 0.0 111.633 175.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.35 61.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.696 1.998 . . . . 0.0 112.382 -167.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.84 58.43 1.04 Allowed Glycine 0 N--CA 1.454 -0.116 0 N-CA-C 108.197 -1.961 . . . . 0.0 108.197 -174.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -90.09 166.97 13.1 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.233 1.413 . . . . 0.0 108.807 162.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -133.84 148.78 51.34 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.317 1.447 . . . . 0.0 112.603 168.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.7 mt -123.5 121.68 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 127.982 2.513 . . . . 0.0 105.84 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -136.83 -17.76 1.41 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -56.02 110.71 0.79 Allowed 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -22.33 38.21 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 119.624 1.102 . . . . 0.0 110.591 171.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -52.22 -37.29 54.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.24 2.216 . . . . 0.0 111.478 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.486 HG22 HG22 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -81.05 -36.27 30.72 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -178.839 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.41 -56.19 16.28 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 126.985 2.231 . . . . 0.0 109.248 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.62 -31.49 72.73 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.508 -0.995 . . . . 0.0 113.329 174.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.5 76.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.941 1.246 . . . . 0.0 110.323 172.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.9 mt -60.85 -41.34 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 125.275 1.43 . . . . 0.0 109.087 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 34.5 ttp -59.56 -46.44 88.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.101 0.56 . . . . 0.0 110.761 172.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.82 -48.08 83.13 Favored 'General case' 0 C--N 1.342 0.246 0 O-C-N 121.546 -0.721 . . . . 0.0 111.645 177.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.86 -39.81 95.55 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.406 -0.809 . . . . 0.0 110.022 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 m -56.51 -53.61 55.47 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.804 172.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -48.13 -49.18 33.13 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.38 0.991 . . . . 0.0 111.668 170.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -67.7 -20.1 65.24 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 121.283 -0.886 . . . . 0.0 112.283 -172.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.7 mt -98.77 14.45 28.73 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.181 1.392 . . . . 0.0 110.02 176.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 50.78 36.89 15.49 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 128.672 2.789 . . . . 0.0 111.526 -174.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.9 mtt -85.92 9.7 16.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 117.877 -1.059 . . . . 0.0 111.837 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.3 mt . . . . . 0 C--O 1.234 0.286 0 CA-C-N 120.322 1.419 . . . . 0.0 108.39 175.03 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.536 0.404 0 CA-C-O 120.694 0.283 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -74.42 87.3 2.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.395 1.478 . . . . 0.0 107.842 173.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -51.58 -36.87 47.26 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.381 1.073 . . . . 0.0 111.779 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.49 -75.4 0.23 Allowed Glycine 0 CA--C 1.527 0.807 0 C-N-CA 125.641 1.591 . . . . 0.0 113.477 170.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -66.69 -25.75 66.7 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.314 1.557 . . . . 0.0 112.459 -171.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.57 87.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.557 0.743 . . . . 0.0 111.192 168.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.7 ttm -77.77 -29.82 51.14 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.888 -1.133 . . . . 0.0 112.013 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -55.57 -55.38 32.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.491 1.116 . . . . 0.0 108.477 168.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -50.39 -51.72 43.64 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 124.289 0.993 . . . . 0.0 108.963 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.41 -62.08 1.91 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.004 0.82 . . . . 0.0 113.086 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -39.86 85.14 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.216 -0.928 . . . . 0.0 112.085 -173.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -50.61 -33.64 22.94 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 126.66 1.984 . . . . 0.0 112.902 177.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -90.45 -9.72 46.42 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.836 0.854 . . . . 0.0 112.322 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.84 16.15 12.03 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.496 1.046 . . . . 0.0 113.604 -175.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.97 147.74 52.85 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 119.576 1.688 . . . . 0.0 110.796 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -67.52 159.68 29.21 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.306 167.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -45.04 94.08 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 172.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -31.4 70.33 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.972 0.909 . . . . 0.0 110.941 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.3 ttp -74.33 -51.53 14.9 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 120.737 -1.227 . . . . 0.0 108.347 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -36.92 76.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 122.914 0.485 . . . . 0.0 111.428 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -65.6 -44.66 85.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 117.292 -1.337 . . . . 0.0 109.654 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -57.56 -48.14 80.13 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 120.543 1.519 . . . . 0.0 111.357 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.37 -34.38 72.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 124.372 1.069 . . . . 0.0 111.097 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -39.82 16.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-O 117.299 -1.334 . . . . 0.0 111.567 172.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.92 -37.31 81.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 120.922 1.692 . . . . 0.0 110.971 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 67.9 mt -78.31 -45.36 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 124.189 0.996 . . . . 0.0 109.448 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.04 -46.84 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.97 0.805 . . . . 0.0 110.616 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.55 ' CD2' ' HE2' ' A' ' 99' ' ' LYS . 17.9 t-160 -58.07 -50.09 74.67 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 178.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.12 15.95 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 C-N-CA 128.148 2.785 . . . . 0.0 115.009 174.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 10.3 m -133.0 -29.4 1.45 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 116.192 -1.861 . . . . 0.0 111.599 165.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -54.98 -22.07 13.97 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 123.435 2.834 . . . . 0.0 112.867 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.55 ' HE2' ' CD2' ' A' ' 95' ' ' HIS . 0.4 OUTLIER -121.89 -25.54 4.98 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 119.807 -1.808 . . . . 0.0 113.417 177.844 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 m -80.54 -33.11 36.52 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.45 1.5 . . . . 0.0 112.943 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.7 m -75.91 114.4 36.67 Favored Pre-proline 0 N--CA 1.45 -0.465 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 170.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -71.33 147.72 53.59 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.533 2.155 . . . . 0.0 109.449 171.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -155.97 174.1 15.83 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.937 -0.477 . . . . 0.0 110.269 168.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.55 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 0.2 OUTLIER -65.28 177.42 1.09 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.946 0.898 . . . . 0.0 109.374 162.786 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -0.57 1.49 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.152 0.981 . . . . 0.0 112.182 162.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.55 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 6.8 t70 -74.97 94.42 2.84 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 120.376 -1.453 . . . . 0.0 109.572 175.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.601 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 13.5 mmmm -67.21 -24.49 65.85 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.21 -0.932 . . . . 0.0 111.673 -171.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 65.0 m -58.89 -54.34 48.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 169.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.4 mm -59.26 -44.13 91.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 123.893 0.877 . . . . 0.0 110.308 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.601 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 30.1 t90 -57.07 -63.52 1.18 Allowed 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 125.623 1.569 . . . . 0.0 111.556 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -60.5 -33.95 73.35 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 118.648 0.658 . . . . 0.0 110.434 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.22 -55.17 9.08 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.41 1.084 . . . . 0.0 108.988 168.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.53 -38.23 94.58 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.671 1.129 . . . . 0.0 113.158 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.37 -34.94 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 118.349 1.075 . . . . 0.0 110.38 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.17 67.55 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 120.891 -1.13 . . . . 0.0 110.981 170.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 m -60.82 -40.54 93.12 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 120.143 1.338 . . . . 0.0 112.126 -171.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.0 p -66.53 -59.8 3.3 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.399 0.679 . . . . 0.0 109.956 171.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.48 ' CE1' HD11 ' A' ' 122' ' ' ILE . 63.1 t80 -49.23 -50.3 39.17 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 124.941 1.296 . . . . 0.0 111.063 -174.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.04 -55.9 3.02 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 126.073 1.749 . . . . 0.0 110.703 172.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.02 -32.97 72.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 122.203 0.201 . . . . 0.0 111.115 -172.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -70.78 -38.55 73.39 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.245 1.418 . . . . 0.0 109.503 177.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' A' ' 118' ' ' PHE . 7.0 mm -62.91 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 CA-C-N 119.489 1.04 . . . . 0.0 109.678 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -57.66 -45.52 85.44 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 119.205 -0.426 . . . . 0.0 110.22 176.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -59.2 -44.22 92.25 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.777 0.717 . . . . 0.0 111.576 175.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.0 mt -65.18 -8.03 15.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.767 1.227 . . . . 0.0 112.874 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 56.27 22.51 6.28 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.403 1.881 . . . . 0.0 112.025 -170.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 46.8 m0 -82.65 46.35 1.06 Allowed 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.682 -1.261 . . . . 0.0 109.301 177.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 116.9 -1.524 . . . . 0.0 107.815 177.025 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.351 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -52.72 -47.21 67.5 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.774 2.03 . . . . 0.0 110.387 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.6 t -69.45 -34.23 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.562 1.145 . . . . 0.0 110.584 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -48.48 81.56 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.877 1.217 . . . . 0.0 109.065 176.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -58.08 -51.27 70.38 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 123.688 0.795 . . . . 0.0 109.598 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.71 -40.84 84.87 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.37 -50.78 72.23 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.207 -0.933 . . . . 0.0 109.23 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -58.37 -28.24 64.97 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.665 1.186 . . . . 0.0 111.295 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -80.57 -47.0 14.82 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.668 1.987 . . . . 0.0 109.759 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -82.55 -27.02 31.88 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.506 0.722 . . . . 0.0 111.937 -177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -54.7 -54.87 36.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 157.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.22 47.27 3.79 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.3 -0.722 . . . . 0.0 113.961 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -100.97 -41.4 6.82 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 117.11 -1.424 . . . . 0.0 113.247 174.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.574 ' HB1' ' CE ' ' A' ' 58' ' ' LYS . . . -76.97 27.48 0.14 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 121.025 1.738 . . . . 0.0 113.111 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.72 -56.39 22.45 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.856 -1.152 . . . . 0.0 111.108 -172.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -62.89 -36.33 82.99 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.238 1.015 . . . . 0.0 110.157 -173.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -56.42 -58.77 6.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 170.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.1 m -59.83 -29.42 68.25 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -66.11 -56.81 9.62 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 124.312 1.045 . . . . 0.0 109.374 173.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -66.14 -33.3 75.47 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.617 0.644 . . . . 0.0 110.847 -176.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -57.11 -31.85 65.73 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.879 1.272 . . . . 0.0 113.56 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mtm -127.2 -0.09 6.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -168.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 m 49.99 81.63 0.06 Allowed 'General case' 0 C--O 1.236 0.393 0 C-N-CA 124.501 1.12 . . . . 0.0 109.666 -159.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -112.44 136.65 51.68 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 170.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.7 p -66.82 154.65 40.35 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.584 0.553 . . . . 0.0 111.012 -174.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.3 -20.61 63.01 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 123.226 0.61 . . . . 0.0 110.627 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.04 -10.89 6.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.175 1.79 . . . . 0.0 114.255 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.3 pt -74.45 -16.91 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 119.203 0.911 . . . . 0.0 111.831 169.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -59.09 -51.94 67.89 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -52.8 -41.71 64.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.699 0.681 . . . . 0.0 111.298 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -68.16 -49.01 63.77 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.319 0.508 . . . . 0.0 110.795 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.45 -40.23 95.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 118.819 0.736 . . . . 0.0 111.713 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -60.58 -52.08 66.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 126.026 1.73 . . . . 0.0 109.058 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -89.56 8.24 32.24 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.288 0.635 . . . . 0.0 112.214 -174.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -50.76 -42.19 57.47 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.778 1.631 . . . . 0.0 110.929 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -85.22 17.69 2.93 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -65.47 166.97 9.43 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 120.504 1.502 . . . . 0.0 111.238 174.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -94.35 24.41 4.49 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 126.15 1.78 . . . . 0.0 113.731 -167.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 164.77 31.06 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 C-N-CA 124.519 1.057 . . . . 0.0 111.695 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -82.61 146.66 29.01 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.334 0.654 . . . . 0.0 109.41 -176.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -122.08 133.92 54.77 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 122.419 1.104 . . . . 0.0 110.321 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.7 mt -101.35 122.89 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 104.145 -2.539 . . . . 0.0 104.145 -175.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -142.02 -20.52 0.72 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.403 -173.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 110.53 2.4 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 174.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -53.26 -29.12 31.21 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.806 0.73 . . . . 0.0 110.239 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.15 -29.05 63.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.121 1.368 . . . . 0.0 112.621 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.6 p -69.78 -47.25 63.58 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 119.558 1.072 . . . . 0.0 108.708 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.76 -43.29 86.82 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 124.674 1.13 . . . . 0.0 112.095 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -32.35 61.34 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 118.333 -0.842 . . . . 0.0 112.584 177.182 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.79 80.31 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.966 1.257 . . . . 0.0 109.643 170.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.9 mt -51.96 -56.19 7.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 C-N-CA 124.604 1.162 . . . . 0.0 108.067 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -55.76 -45.79 78.0 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.31 0.959 . . . . 0.0 111.96 -177.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.67 -47.4 82.41 Favored 'General case' 0 C--O 1.225 -0.201 0 O-C-N 122.026 -0.421 . . . . 0.0 110.618 174.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.68 -44.81 95.3 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.12 -0.987 . . . . 0.0 109.857 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 m -53.22 -49.17 67.34 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.662 1.119 . . . . 0.0 110.262 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -52.3 -55.74 19.41 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.902 -1.124 . . . . 0.0 110.723 171.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.574 ' CE ' ' HB1' ' A' ' 15' ' ' ALA . 3.9 mmmt -62.21 -27.38 68.94 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.312 -0.867 . . . . 0.0 111.189 -172.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.6 mt -84.73 10.83 10.33 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.082 1.353 . . . . 0.0 110.963 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 t30 41.78 46.78 3.42 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 128.454 2.702 . . . . 0.0 110.372 -171.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.97 -1.64 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.778 -169.15 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 N--CA 1.445 -0.705 0 C-N-CA 123.549 0.74 . . . . 0.0 109.757 -172.594 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.8 HD13 ' H ' ' A' ' 70' ' ' HIS . 2.1 tm? . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 118.796 -0.621 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -73.34 -14.92 61.38 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -176.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.8 ' H ' HD13 ' A' ' 68' ' ' LEU . 26.9 m80 67.28 -55.88 0.45 Allowed 'General case' 0 C--O 1.232 0.153 0 C-N-CA 128.984 2.913 . . . . 0.0 112.219 -166.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.4 -72.45 0.57 Allowed Glycine 0 CA--C 1.526 0.778 0 C-N-CA 125.056 1.313 . . . . 0.0 113.057 -174.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -57.86 -40.14 79.43 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.623 -174.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.9 -59.93 2.05 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.916 1.286 . . . . 0.0 110.134 169.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.1 ttm -65.12 -43.98 90.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -60.13 -47.04 87.56 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -58.15 -44.22 87.77 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 124.351 1.061 . . . . 0.0 110.797 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.34 -61.89 2.24 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 123.173 0.589 . . . . 0.0 109.607 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -57.55 -34.46 69.19 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.583 -0.698 . . . . 0.0 111.896 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -54.78 -38.55 67.39 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.805 1.242 . . . . 0.0 112.527 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -78.63 6.86 7.84 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.138 0.575 . . . . 0.0 112.015 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.37 5.33 85.2 Favored Glycine 0 CA--C 1.526 0.741 0 CA-C-O 119.023 -0.876 . . . . 0.0 112.229 -174.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.54 148.49 48.63 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 118.456 1.128 . . . . 0.0 110.256 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.61 153.13 36.88 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.276 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -53.2 57.03 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.39 2.276 . . . . 0.0 109.197 175.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 83.8 m -65.06 -47.55 76.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.664 1.586 . . . . 0.0 110.875 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.5 ttm -52.43 -51.91 56.74 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.46 -38.53 87.56 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.559 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -53.4 58.72 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.97 0.804 . . . . 0.0 109.262 173.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -59.25 -41.0 87.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.57 1.148 . . . . 0.0 111.922 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.8 mt -64.62 -14.62 58.81 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 117.959 -1.02 . . . . 0.0 111.586 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.25 -51.25 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-O 116.629 -1.653 . . . . 0.0 110.698 163.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.1 -28.91 69.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 121.114 1.779 . . . . 0.0 112.149 -165.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 53.5 mt -70.61 -48.81 56.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.55 -58.28 8.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 125.183 1.393 . . . . 0.0 110.413 -173.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -56.62 -38.34 71.96 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 123.866 0.867 . . . . 0.0 109.052 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.23 7.6 2.46 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.893 2.187 . . . . 0.0 114.429 174.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 59.7 m -124.12 -35.57 2.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 126.601 1.961 . . . . 0.0 110.498 169.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.67 -25.59 0.5 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 122.062 2.21 . . . . 0.0 115.136 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.24 -36.75 3.31 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 125.383 1.473 . . . . 0.0 112.023 172.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -40.31 95.47 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.636 0.774 . . . . 0.0 112.043 -175.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.8 m -63.34 120.05 58.63 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 124.718 1.207 . . . . 0.0 109.572 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.18 129.3 11.2 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.013 2.475 . . . . 0.0 109.395 175.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -136.26 174.14 10.94 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.288 0.635 . . . . 0.0 111.0 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.11 176.96 8.44 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 156.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.74 -6.0 4.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.962 0.905 . . . . 0.0 112.5 169.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -67.15 96.04 0.44 Allowed 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 120.707 -1.245 . . . . 0.0 108.504 176.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.653 ' HE3' ' CE3' ' A' ' 110' ' ' TRP . 8.2 mmmt -57.86 -24.46 57.61 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.087 -1.008 . . . . 0.0 113.092 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.2 m -61.75 -52.96 62.1 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 170.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.4 -42.88 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.137 1.775 . . . . 0.0 109.109 -173.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.653 ' CE3' ' HE3' ' A' ' 107' ' ' LYS . 29.3 t90 -47.61 -63.63 1.0 Allowed 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 125.309 1.444 . . . . 0.0 109.527 171.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.7 m -60.58 -38.52 84.88 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.088 0.555 . . . . 0.0 111.382 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.84 -49.87 57.97 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.664 1.586 . . . . 0.0 110.145 172.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.59 -42.72 87.71 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 124.76 1.171 . . . . 0.0 112.085 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.32 -24.53 33.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 117.721 0.761 . . . . 0.0 110.753 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -83.04 -41.72 18.33 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 120.898 -1.126 . . . . 0.0 111.907 168.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.0 m -61.02 -43.57 98.69 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.122 1.328 . . . . 0.0 110.719 -172.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 17.8 p -61.66 -51.71 67.33 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.486 0.66 . . . . 0.0 109.931 178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.76 -48.14 83.15 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.309 2.244 . . . . 0.0 110.057 -175.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -47.53 -54.18 12.37 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.166 0.986 . . . . 0.0 109.74 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.67 73.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.525 ' HA ' ' HE3' ' A' ' 124' ' ' LYS . 8.9 mm-40 -63.8 -43.11 97.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.211 0.914 . . . . 0.0 111.075 171.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.2 mm -57.66 -47.16 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.19 0.905 . . . . 0.0 108.853 175.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -56.02 -50.05 71.97 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.056 0.543 . . . . 0.0 111.412 173.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.525 ' HE3' ' HA ' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -59.71 -41.26 90.39 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 119.957 -1.714 . . . . 0.0 112.555 178.8 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.79 -7.52 16.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.901 1.681 . . . . 0.0 112.337 172.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 51.9 t30 59.58 26.23 15.23 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.549 1.94 . . . . 0.0 112.041 -173.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -91.01 -8.04 50.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.561 1.945 . . . . 0.0 112.907 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-N 119.593 1.088 . . . . 0.0 108.279 179.351 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 119.128 -0.463 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.422 ' HG3' ' HA ' ' A' ' 127' ' ' TRP . 3.8 mt-30 -88.45 -33.81 17.71 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.637 1.175 . . . . 0.0 112.367 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -50.95 -59.58 4.0 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 126.543 1.937 . . . . 0.0 111.138 -173.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.51 HG22 ' CD1' ' A' ' 8' ' ' LEU . 1.2 p -62.04 -45.05 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 124.381 1.072 . . . . 0.0 110.731 176.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -36.89 46.66 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -61.89 -50.2 73.17 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -54.8 -39.66 68.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 124.351 1.06 . . . . 0.0 112.497 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.51 ' CD1' HG22 ' A' ' 4' ' ' VAL . 4.8 mp -60.49 -55.49 32.83 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -60.78 -32.54 71.87 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.612 0.765 . . . . 0.0 110.98 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.56 -54.93 15.76 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.919 1.688 . . . . 0.0 108.139 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -77.51 -23.92 50.15 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.592 -172.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.405 ' HA ' HD11 ' A' ' 59' ' ' LEU . 54.1 t80 -57.79 -56.89 16.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.118 1.367 . . . . 0.0 108.831 165.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.29 36.93 1.54 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.897 0.76 . . . . 0.0 114.013 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -80.07 -65.75 0.97 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.217 1.508 . . . . 0.0 109.422 170.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.77 14.54 0.1 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -172.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.3 tp -61.07 -46.11 91.98 Favored 'General case' 0 C--O 1.224 -0.258 0 O-C-N 120.768 -1.207 . . . . 0.0 110.605 -174.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 20' ' ' LYS . 4.2 t70 -69.12 -30.0 68.18 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.27 -59.11 5.92 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 168.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.5 m -52.43 -38.22 58.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.974 0.91 . . . . 0.0 112.42 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 10.2 mtpm? -57.71 -56.02 27.36 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.531 1.133 . . . . 0.0 110.432 176.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.256 0.1 OUTLIER -63.09 -40.53 97.92 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 125.67 1.588 . . . . 0.0 109.058 -178.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -59.58 -51.51 69.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.016 1.326 . . . . 0.0 110.734 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.3 mtp -108.1 2.3 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.26 0.624 . . . . 0.0 111.512 -161.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.6 m 51.71 77.17 0.15 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 126.681 1.992 . . . . 0.0 109.355 -167.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.5 mt -112.47 136.39 52.03 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -73.69 169.54 17.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 122.666 1.222 . . . . 0.0 109.853 -173.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.77 -17.21 64.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.545 174.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -10.47 45.49 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.467 HG22 HG22 ' A' ' 48' ' ' THR . 2.3 pt -80.59 -24.39 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 117.753 -1.118 . . . . 0.0 110.139 175.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -56.44 -40.81 75.39 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 119.486 1.039 . . . . 0.0 108.677 170.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.76 -56.63 19.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 115.916 -1.992 . . . . 0.0 109.287 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.451 ' CB ' HG21 ' A' ' 48' ' ' THR . 1.0 OUTLIER -48.99 -56.52 8.67 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.655 1.116 . . . . 0.0 107.991 178.306 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -60.95 -26.55 67.59 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -81.23 -43.73 18.81 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.697 1.599 . . . . 0.0 111.491 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -95.53 2.88 54.51 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.211 1.405 . . . . 0.0 112.941 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -48.16 -41.58 27.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.749 2.019 . . . . 0.0 110.503 -176.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -89.99 47.17 1.42 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.116 1.766 . . . . 0.0 112.569 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.64 166.78 11.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.63 1.172 . . . . 0.0 110.567 168.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -94.92 23.74 5.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.718 1.207 . . . . 0.0 113.98 -171.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.39 40.48 0.02 OUTLIER Glycine 0 CA--C 1.509 -0.293 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -91.31 141.79 28.4 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 167.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -126.48 137.45 53.39 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.402 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 79.3 mt -100.86 104.23 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 C-N-CA 129.98 3.312 . . . . 0.0 105.406 -161.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 9.9 mmpt? -124.35 -6.14 7.67 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.758 -173.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.515 ' HB3' HG23 ' A' ' 48' ' ' THR . 52.8 t-20 -74.85 108.08 7.36 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 120.453 1.479 . . . . 0.0 107.967 170.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -52.76 -27.87 19.73 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.936 1.244 . . . . 0.0 111.036 175.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -65.96 -26.1 67.42 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 117.726 -1.13 . . . . 0.0 111.22 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.515 HG23 ' HB3' ' A' ' 45' ' ' ASN 0.259 11.2 p -69.76 -41.15 75.57 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.253 1.388 . . . . 0.0 108.617 177.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.51 -56.44 7.25 Favored Glycine 0 C--N 1.341 0.856 0 C-N-CA 126.83 2.157 . . . . 0.0 112.226 169.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -34.98 75.48 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.419 -0.8 . . . . 0.0 113.07 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.02 79.43 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 119.705 1.139 . . . . 0.0 109.88 175.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.5 mt -52.56 -53.36 20.52 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.946 1.298 . . . . 0.0 108.336 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.7 ttp -58.54 -40.71 83.72 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.106 0.866 . . . . 0.0 112.304 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.4 t -63.16 -46.19 88.33 Favored 'General case' 0 C--N 1.338 0.097 0 O-C-N 121.606 -0.684 . . . . 0.0 110.609 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.5 mt -58.25 -50.17 74.54 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-O 118.65 -0.69 . . . . 0.0 109.15 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.6 m -50.35 -49.69 53.34 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.684 1.193 . . . . 0.0 112.043 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 m -52.94 -53.03 55.51 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.032 0.833 . . . . 0.0 111.028 169.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -65.2 -29.66 70.5 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.414 -0.803 . . . . 0.0 111.253 -171.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 12' ' ' PHE . 11.2 mt -88.66 5.46 43.03 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.843 1.657 . . . . 0.0 110.824 175.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.85 38.01 1.7 Allowed 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.907 2.483 . . . . 0.0 112.815 168.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.7 mtt -93.01 17.81 10.17 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.094 -1.004 . . . . 0.0 112.053 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.2 mt -119.66 120.06 35.53 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 120.624 1.556 . . . . 0.0 109.704 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.495 ' HB2' ' HD2' ' A' ' 64' ' ' PRO . 55.6 p-10 -67.26 174.22 2.21 Favored Pre-proline 0 C--O 1.241 0.653 0 C-N-CA 126.072 1.749 . . . . 0.0 108.523 173.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 63' ' ' ASP . 20.0 Cg_endo -64.04 -10.35 22.78 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 121.513 1.475 . . . . 0.0 112.64 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -96.16 -25.68 15.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.454 1.102 . . . . 0.0 109.516 -168.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.89 28.32 54.76 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 125.954 1.74 . . . . 0.0 111.757 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -117.84 31.23 6.82 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.887 2.075 . . . . 0.0 109.447 -177.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.402 HD13 ' CG1' ' A' ' 94' ' ' VAL . 0.6 OUTLIER 63.75 123.34 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 129.098 2.959 . . . . 0.0 113.25 -178.55 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.56 76.99 1.47 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 170.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -55.88 -33.65 64.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.091 0.956 . . . . 0.0 110.651 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -47.76 -61.36 4.81 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.133 1.349 . . . . 0.0 112.555 166.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -74.84 -31.26 61.61 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.658 -0.907 . . . . 0.0 112.491 -175.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.25 -41.3 65.31 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.022 1.329 . . . . 0.0 111.05 168.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.6 ttm -69.27 -39.94 78.08 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 118.824 0.738 . . . . 0.0 111.558 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -56.18 -46.28 79.44 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 118.951 0.796 . . . . 0.0 109.001 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.34 -42.91 74.46 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.621 0.646 . . . . 0.0 110.179 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 -60.88 2.9 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 123.282 0.633 . . . . 0.0 110.007 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 mppp? -61.15 -34.79 75.58 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.472 0.578 . . . . 0.0 111.057 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -56.77 -36.27 69.64 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.246 1.819 . . . . 0.0 111.861 174.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -90.0 -5.27 56.83 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 117.761 -1.114 . . . . 0.0 113.295 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.19 1.98 20.23 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 119.593 1.088 . . . . 0.0 114.944 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.71 150.06 49.11 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 119.131 1.465 . . . . 0.0 112.249 -167.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.0 167.89 14.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 114.433 -1.258 . . . . 0.0 108.8 170.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -61.24 1.85 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.286 1.435 . . . . 0.0 111.612 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.2 m -62.12 -30.01 70.73 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 118.592 0.633 . . . . 0.0 109.501 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.66 ' O ' HD22 ' A' ' 90' ' ' LEU . 1.9 ttp -60.1 -66.23 0.55 Allowed 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 171.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.84 -34.83 55.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 119.613 1.097 . . . . 0.0 112.804 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -48.89 72.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 117.767 -1.111 . . . . 0.0 110.873 172.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -50.29 -54.12 23.66 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 125.804 1.641 . . . . 0.0 110.559 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 86' ' ' MET . 2.5 mm? -56.97 -40.16 75.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 117.03 -1.462 . . . . 0.0 111.809 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.94 -47.2 77.08 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 CA-C-O 117.27 -1.347 . . . . 0.0 109.938 175.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.41 -36.18 77.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 120.907 1.685 . . . . 0.0 110.647 -172.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 58.4 mt -72.79 -47.68 48.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.144 0.977 . . . . 0.0 109.495 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.402 ' CG1' HD13 ' A' ' 68' ' ' LEU . 28.6 t -64.56 -56.57 15.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 124.332 1.053 . . . . 0.0 110.044 -177.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -51.12 -40.67 59.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.958 1.703 . . . . 0.0 108.417 173.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.4 -1.38 64.79 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 127.802 2.62 . . . . 0.0 115.153 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.9 m -122.32 -26.28 4.67 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.198 1.999 . . . . 0.0 111.729 170.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -21.49 3.14 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.94 2.155 . . . . 0.0 113.556 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.03 -46.31 2.09 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 120.456 -1.402 . . . . 0.0 110.081 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -46.09 68.51 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 124.546 1.138 . . . . 0.0 112.044 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.2 m -68.59 115.07 26.52 Favored Pre-proline 0 N--CA 1.447 -0.58 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -73.25 154.91 51.79 Favored 'Trans proline' 0 N--CA 1.445 -1.382 0 C-N-CA 121.815 1.677 . . . . 0.0 108.854 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -160.19 170.95 20.09 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 124.919 1.288 . . . . 0.0 108.226 166.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -171.9 0.57 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 168.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.48 -15.85 1.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.131 0.972 . . . . 0.0 112.787 163.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -74.19 92.23 2.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -171.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -54.23 -27.92 37.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.533 1.133 . . . . 0.0 113.943 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 50.3 m -61.58 -52.07 65.95 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 119.256 0.935 . . . . 0.0 109.146 171.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.499 ' HA ' HD23 ' A' ' 112' ' ' LEU . 15.7 mm -56.25 -52.24 53.84 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 125.496 1.518 . . . . 0.0 109.173 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -46.71 -66.95 0.33 Allowed 'General case' 0 N--CA 1.437 -1.125 0 C-N-CA 125.719 1.608 . . . . 0.0 111.692 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.8 m -58.86 -35.16 72.51 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 124.057 0.848 . . . . 0.0 111.939 -176.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 109' ' ' ILE . 0.1 OUTLIER -53.25 -47.47 69.04 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.208 1.003 . . . . 0.0 110.392 172.198 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.97 -39.83 84.74 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 118.715 -1.047 . . . . 0.0 112.137 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.02 -43.21 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 118.674 1.237 . . . . 0.0 108.548 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.79 90.8 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.064 -1.022 . . . . 0.0 111.934 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 94.3 m -70.14 -39.03 75.62 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 118.21 -0.9 . . . . 0.0 112.517 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 16.1 p -65.76 -49.99 66.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.771 1.169 . . . . 0.0 108.904 173.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -54.32 -45.94 72.74 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.782 1.633 . . . . 0.0 111.014 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -47.9 -53.11 16.82 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.289 1.035 . . . . 0.0 110.128 175.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.01 -40.88 77.49 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.281 0.491 . . . . 0.0 110.563 -176.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -58.59 -42.66 88.57 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.98 0.809 . . . . 0.0 111.075 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.36 -41.68 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.219 0.607 . . . . 0.0 110.016 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -59.74 -52.6 64.81 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.564 173.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -53.77 -42.84 68.68 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.676 1.126 . . . . 0.0 111.89 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.99 -5.06 28.21 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.511 1.124 . . . . 0.0 112.632 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 36.3 t30 45.59 50.61 10.45 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 126.547 1.939 . . . . 0.0 110.846 -168.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.422 ' HA ' ' HG3' ' A' ' 2' ' ' GLN . 36.7 m0 -95.28 1.5 54.51 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.712 174.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 C-N-CA 125.809 1.643 . . . . 0.0 108.731 167.139 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 119.782 -0.152 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.79 -50.82 13.65 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 127.354 2.262 . . . . 0.0 111.844 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.57 -42.05 67.15 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.748 1.219 . . . . 0.0 111.907 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.1 t -70.73 -34.77 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 123.706 0.802 . . . . 0.0 109.55 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -49.82 72.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.648 1.113 . . . . 0.0 108.631 172.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -57.69 -51.57 68.97 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 125.003 1.321 . . . . 0.0 110.275 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.48 -43.68 93.42 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 125.328 1.451 . . . . 0.0 112.232 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.29 -53.05 60.99 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 174.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -59.02 -35.96 74.16 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.18 0.592 . . . . 0.0 111.976 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.1 tp -65.75 -50.45 64.73 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 124.233 1.013 . . . . 0.0 108.728 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -77.45 -34.34 54.47 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.885 -172.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.45 ' HA ' HD11 ' A' ' 59' ' ' LEU . 62.8 t80 -53.79 -51.72 62.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.18 1.392 . . . . 0.0 109.45 167.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.41 1.88 18.01 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 117.654 -1.637 . . . . 0.0 115.588 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -58.51 -60.55 3.62 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.526 2.163 . . . . 0.0 110.616 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.29 8.56 0.43 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.308 1.043 . . . . 0.0 113.805 -175.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.83 -47.04 87.34 Favored 'General case' 0 C--O 1.221 -0.409 0 O-C-N 120.775 -1.203 . . . . 0.0 110.766 -173.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.19 -34.23 76.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.594 1.558 . . . . 0.0 111.05 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.49 -52.89 41.27 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 173.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.2 m -56.41 -37.74 70.58 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.34 1.056 . . . . 0.0 111.819 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.465 ' HE2' ' OD1' ' A' ' 27' ' ' ASP . 17.0 mttp -58.79 -39.18 80.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.145 1.378 . . . . 0.0 111.673 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -90.73 -31.0 16.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.795 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.01 -46.59 71.84 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.901 1.228 . . . . 0.0 110.269 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mtp -117.32 3.72 12.57 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.772 0.829 . . . . 0.0 111.544 -162.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m 50.38 73.85 0.25 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.614 1.565 . . . . 0.0 110.769 -171.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 mt -112.84 129.88 56.29 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.1 p -68.62 167.23 15.55 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 125.211 1.404 . . . . 0.0 110.742 -167.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.465 ' OD1' ' HE2' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -79.44 -10.75 59.87 Favored 'General case' 0 C--N 1.333 -0.115 0 O-C-N 121.006 -1.059 . . . . 0.0 111.476 178.024 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.03 -30.93 60.59 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.888 1.275 . . . . 0.0 111.498 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.42 HG22 HG22 ' A' ' 48' ' ' THR . 2.8 pt -65.31 -23.56 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 O-C-N 121.756 -0.59 . . . . 0.0 112.047 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -62.88 -31.7 72.8 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.874 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.67 -11.96 59.92 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.013 -0.994 . . . . 0.0 112.359 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -74.65 -70.51 0.4 Allowed 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 158.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -52.63 -25.65 11.34 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -173.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -72.72 -58.23 3.51 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.706 1.602 . . . . 0.0 109.766 172.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -88.45 11.14 17.8 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.539 1.536 . . . . 0.0 112.028 -173.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -53.58 -35.82 61.24 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.843 -1.161 . . . . 0.0 109.268 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -100.04 31.14 3.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.354 1.462 . . . . 0.0 113.665 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -71.5 169.03 16.28 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 119.422 -2.048 . . . . 0.0 109.269 165.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -77.19 91.16 3.72 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 126.247 1.819 . . . . 0.0 106.796 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.41 12.92 77.57 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-O 118.443 -1.199 . . . . 0.0 114.28 169.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -60.09 139.69 57.33 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.735 1.767 . . . . 0.0 109.072 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -113.06 155.78 24.28 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-O 122.842 1.306 . . . . 0.0 110.647 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt -132.0 117.13 32.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 127.7 2.4 . . . . 0.0 105.469 -160.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.89 -17.09 1.09 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -53.2 110.39 0.54 Allowed 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 125.269 1.427 . . . . 0.0 108.684 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 32.9 ttp85 -57.13 -26.12 59.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.377 0.989 . . . . 0.0 109.637 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -58.08 -37.33 74.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.548 1.139 . . . . 0.0 111.812 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.42 HG22 HG22 ' A' ' 29' ' ' ILE . 8.1 p -72.94 -41.66 64.24 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -175.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.68 -42.51 96.3 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -37.3 74.18 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.511 0.656 . . . . 0.0 111.725 175.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.01 -48.06 79.38 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.187 0.903 . . . . 0.0 110.338 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.0 mt -55.0 -51.68 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 124.999 1.32 . . . . 0.0 109.165 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -59.44 -38.34 80.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.419 0.687 . . . . 0.0 112.063 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.2 t -64.99 -46.16 82.6 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.119 0.568 . . . . 0.0 110.789 173.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.447 HD22 ' O ' ' A' ' 12' ' ' PHE . 89.6 mt -60.14 -49.64 76.83 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.175 0.898 . . . . 0.0 109.597 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.0 m -53.94 -47.56 71.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.969 0.804 . . . . 0.0 111.418 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.8 m -52.77 -55.64 21.39 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.681 0.673 . . . . 0.0 110.913 173.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -64.83 -17.94 64.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.584 -0.698 . . . . 0.0 111.678 -171.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.45 HD11 ' HA ' ' A' ' 12' ' ' PHE . 23.2 mt -97.0 12.21 33.31 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.302 1.441 . . . . 0.0 110.83 176.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 53.03 34.42 17.04 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 129.132 2.973 . . . . 0.0 112.344 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.403 ' SD ' ' HA ' ' A' ' 73' ' ' ALA . 67.0 mtm -83.74 -1.61 54.53 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.187 -0.946 . . . . 0.0 112.351 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.3 mt -104.73 130.24 52.82 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 120.047 1.294 . . . . 0.0 108.374 171.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.531 ' HB2' ' HD2' ' A' ' 64' ' ' PRO . 49.8 p30 -73.66 171.73 10.09 Favored Pre-proline 0 C--O 1.242 0.681 0 C-N-CA 126.02 1.728 . . . . 0.0 108.225 175.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.531 ' HD2' ' HB2' ' A' ' 63' ' ' ASP . 69.6 Cg_endo -67.68 4.33 1.44 Allowed 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 123.213 2.608 . . . . 0.0 112.718 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -104.73 -35.97 7.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.966 1.306 . . . . 0.0 107.805 -174.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.2 23.76 6.54 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 127.336 2.398 . . . . 0.0 112.755 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -134.6 29.0 3.59 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.106 1.762 . . . . 0.0 111.857 -147.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.5 tp 63.07 107.38 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.765 2.426 . . . . 0.0 112.121 -173.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -66.53 93.09 0.22 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.075 1.35 . . . . 0.0 109.138 172.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -42.35 -50.02 5.09 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.533 1.133 . . . . 0.0 110.55 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.16 -71.04 0.71 Allowed Glycine 0 C--N 1.338 0.657 0 C-N-CA 125.374 1.464 . . . . 0.0 112.539 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -74.75 -25.86 59.38 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.391 -169.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.403 ' HA ' ' SD ' ' A' ' 61' ' ' MET . . . -56.76 -46.6 81.34 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.156 0.982 . . . . 0.0 110.413 168.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.4 ttm -69.86 -42.25 73.78 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.124 0.97 . . . . 0.0 110.929 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.65 -53.24 58.94 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 124.059 0.944 . . . . 0.0 109.275 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.15 -44.23 67.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.8 0.84 . . . . 0.0 110.314 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.74 -63.61 1.18 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.543 0.61 . . . . 0.0 111.267 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -27.66 68.04 Favored 'General case' 0 N--CA 1.461 0.088 0 O-C-N 120.96 -1.087 . . . . 0.0 113.067 -172.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -52.01 -44.06 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 126.852 2.061 . . . . 0.0 109.792 170.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.05 3.66 25.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.932 0.893 . . . . 0.0 112.154 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.04 25.44 44.79 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 120.726 -1.234 . . . . 0.0 112.508 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.08 151.99 46.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.26 -1.141 . . . . 0.0 110.734 175.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.39 159.16 34.46 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -49.22 74.27 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.606 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 87.6 m -55.98 -49.83 72.51 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 118.758 0.708 . . . . 0.0 109.852 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.1 ttt -56.23 -47.39 78.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.256 1.022 . . . . 0.0 111.015 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.85 85.67 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.832 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -49.96 75.34 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 172.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -63.27 -35.86 81.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.622 1.169 . . . . 0.0 113.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.4 mt -69.4 -4.42 18.36 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.603 1.161 . . . . 0.0 111.906 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.97 -50.46 8.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 117.468 -1.253 . . . . 0.0 109.525 159.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.06 -42.11 79.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 120.916 1.689 . . . . 0.0 111.445 -169.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 53.7 mt -70.7 -38.28 72.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.949 0.9 . . . . 0.0 109.749 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.5 t -73.5 -65.98 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.109 0 C-N-CA 125.101 1.36 . . . . 0.0 108.594 -175.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -47.69 -38.15 14.5 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.126 2.57 . . . . 0.0 109.59 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.82 -67.17 2.32 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 125.013 1.292 . . . . 0.0 110.413 173.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.439 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 1.6 m -54.97 -26.42 36.43 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 117.102 -1.427 . . . . 0.0 112.749 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -49.98 -28.7 7.27 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 122.368 2.349 . . . . 0.0 113.5 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.06 -29.49 2.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 124.682 1.193 . . . . 0.0 112.339 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.439 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . 27.0 m -64.25 -13.97 52.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.885 0.874 . . . . 0.0 112.956 169.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.0 m -111.78 114.73 51.79 Favored Pre-proline 0 C--O 1.238 0.494 0 C-N-CA 124.231 1.012 . . . . 0.0 108.49 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.01 140.57 31.62 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.595 2.197 . . . . 0.0 108.16 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -157.99 164.7 36.52 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 170.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.78 165.27 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.533 0.682 . . . . 0.0 109.896 160.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -0.76 0.67 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.351 1.86 . . . . 0.0 113.252 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -72.29 91.53 1.33 Allowed 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.543 1.137 . . . . 0.0 108.027 176.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.528 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -49.54 -30.22 8.15 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 126.614 1.966 . . . . 0.0 113.111 178.76 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 19.1 m -60.8 -57.15 13.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 173.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.1 mt -64.43 -43.76 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.925 0.89 . . . . 0.0 110.668 -175.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.528 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 32.1 t90 -53.36 -58.72 6.1 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 124.471 1.109 . . . . 0.0 110.831 174.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.2 m -62.58 -33.03 74.14 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.471 0.578 . . . . 0.0 111.071 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.484 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -50.86 -53.76 29.63 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 124.41 1.084 . . . . 0.0 109.846 167.11 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.19 -48.96 83.4 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-O 118.526 -1.152 . . . . 0.0 111.257 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.49 -49.82 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.935 1.294 . . . . 0.0 109.122 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.69 95.82 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.26 -0.9 . . . . 0.0 111.364 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.9 m -65.94 -47.4 74.79 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.482 0.713 . . . . 0.0 111.135 -176.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.0 p -63.12 -49.1 75.73 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 119.102 0.865 . . . . 0.0 110.017 176.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -52.62 -44.94 66.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.291 1.036 . . . . 0.0 111.028 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -49.78 -53.07 27.35 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.943 1.297 . . . . 0.0 110.393 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.45 -30.43 66.93 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.394 0.543 . . . . 0.0 112.296 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -72.28 -35.78 68.8 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.093 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 13.8 mm -58.65 -42.26 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 120.301 1.409 . . . . 0.0 109.832 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -59.33 -50.22 74.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.683 0.793 . . . . 0.0 109.919 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -63.93 -36.55 84.3 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.96 -1.087 . . . . 0.0 112.08 -178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.479 HD13 ' CZ3' ' A' ' 127' ' ' TRP . 34.0 mt -74.18 -2.89 26.67 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.09 0.956 . . . . 0.0 111.841 176.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 59.9 t30 58.61 31.97 21.65 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.411 1.484 . . . . 0.0 111.385 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.479 ' CZ3' HD13 ' A' ' 125' ' ' LEU . 33.1 m0 -94.03 12.0 27.82 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.09 1.356 . . . . 0.0 110.521 170.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 127.1 2.16 . . . . 0.0 108.378 176.518 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -55.64 -44.37 77.1 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 128.025 2.53 . . . . 0.0 112.239 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -52.53 -53.62 43.74 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.716 2.006 . . . . 0.0 110.268 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 8' ' ' LEU . 68.4 t -59.63 -49.02 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.7 tpt -53.45 -41.79 66.47 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 119.268 0.94 . . . . 0.0 110.17 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -59.45 -48.15 82.76 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 119.257 0.935 . . . . 0.0 109.872 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -55.5 -37.66 68.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.997 1.319 . . . . 0.0 111.294 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.542 ' CD1' HG12 ' A' ' 4' ' ' VAL . 3.8 mp -67.03 -48.3 68.79 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.116 0.967 . . . . 0.0 110.227 176.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 t -56.48 -42.39 78.2 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.389 1.076 . . . . 0.0 109.94 176.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.47 -49.82 72.14 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 126.921 2.088 . . . . 0.0 107.216 -176.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.18 -41.45 66.99 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.702 -1.135 . . . . 0.0 112.661 -173.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.08 -43.74 82.41 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.36 14.34 8.98 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-O 117.193 -1.893 . . . . 0.0 115.623 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -54.25 -63.92 1.0 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 120.984 2.392 . . . . 0.0 109.419 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.73 25.99 0.33 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.687 1.195 . . . . 0.0 113.231 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.62 -51.15 69.66 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 120.622 -1.298 . . . . 0.0 110.743 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.61 -35.61 80.09 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.85 0.86 . . . . 0.0 111.626 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.62 -59.43 5.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 171.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.7 m -56.41 -31.87 64.31 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -63.56 -57.03 11.44 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.015 0.926 . . . . 0.0 110.087 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.78 -38.97 92.74 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 118.575 0.625 . . . . 0.0 111.18 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.81 -33.0 66.28 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.86 1.264 . . . . 0.0 112.576 -177.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.4 mtm -125.42 -2.38 7.46 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -170.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.1 m 50.18 83.54 0.04 OUTLIER 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.592 1.157 . . . . 0.0 109.8 -156.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.1 mt -108.63 151.17 26.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 163.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -75.45 161.02 29.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.114 -169.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.17 -18.54 61.25 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.766 -0.584 . . . . 0.0 109.426 171.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.08 -23.68 63.99 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.802 1.641 . . . . 0.0 113.2 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 pt -64.56 -23.63 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 CA-C-N 119.727 1.148 . . . . 0.0 111.113 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -55.55 -36.7 67.08 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.026 171.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.18 -40.48 78.09 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.005 0.922 . . . . 0.0 111.423 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.539 ' CB ' HG21 ' A' ' 48' ' ' THR . 0.2 OUTLIER -68.1 -43.77 77.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 118.68 0.673 . . . . 0.0 109.682 -179.614 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -66.64 -42.33 86.86 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.97 0.908 . . . . 0.0 111.057 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.7 -39.41 91.38 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.33 1.052 . . . . 0.0 111.125 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -95.93 13.82 25.59 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.404 1.082 . . . . 0.0 111.979 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -61.01 -29.89 69.98 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 119.959 -1.713 . . . . 0.0 110.278 -177.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -105.16 28.62 7.09 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.028 1.331 . . . . 0.0 114.031 174.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -68.15 174.19 4.09 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 121.066 -1.021 . . . . 0.0 108.344 157.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.02 25.29 2.89 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -164.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.22 17.45 0.53 Allowed Glycine 0 CA--C 1.524 0.653 0 O-C-N 121.093 -1.004 . . . . 0.0 111.867 -171.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -54.49 139.24 38.28 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.022 0.929 . . . . 0.0 109.389 167.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -107.87 140.06 41.54 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 122.352 1.072 . . . . 0.0 112.985 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.9 mt -112.11 104.68 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 C-N-CA 128.87 2.868 . . . . 0.0 103.622 -161.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -131.98 -9.44 3.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.779 0.718 . . . . 0.0 112.839 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.639 ' HB3' HG23 ' A' ' 48' ' ' THR . 4.7 t-20 -64.27 104.3 0.74 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.685 1.194 . . . . 0.0 108.251 169.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.0 ttm105 -57.64 -29.74 64.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.966 0.907 . . . . 0.0 110.406 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.45 -24.03 66.37 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.388 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 45' ' ' ASN . 6.1 p -71.01 -44.16 66.47 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 119.931 1.241 . . . . 0.0 108.805 174.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.4 -53.92 14.61 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.011 1.291 . . . . 0.0 111.246 171.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -31.07 69.33 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.572 -0.958 . . . . 0.0 113.452 177.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.63 93.03 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 119.639 1.109 . . . . 0.0 110.137 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.03 -46.91 87.91 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 C-N-CA 124.425 1.09 . . . . 0.0 108.711 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -60.21 -47.95 83.79 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.159 0.891 . . . . 0.0 111.956 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -58.54 -47.11 85.28 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.691 -0.631 . . . . 0.0 110.889 175.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.1 mt -60.18 -48.87 79.91 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.207 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.45 -43.63 55.23 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.73 1.15 . . . . 0.0 110.216 176.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 m -53.98 -54.43 39.15 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -72.44 -13.72 61.51 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.654 1.182 . . . . 0.0 113.928 -169.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -80.7 -0.67 39.33 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.405 1.457 . . . . 0.0 111.248 165.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 t30 58.56 30.31 19.63 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 127.668 2.387 . . . . 0.0 111.58 -164.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.8 mtp -79.94 2.95 21.52 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.497 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mp -118.35 125.29 49.72 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.06 1.344 . . . . 0.0 107.911 -172.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.32 166.66 6.46 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 126.53 1.932 . . . . 0.0 108.59 167.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -67.97 -16.95 46.17 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 122.691 2.261 . . . . 0.0 115.391 -164.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -88.82 -9.99 49.72 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.266 1.027 . . . . 0.0 110.785 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.25 19.33 21.44 Favored Glycine 0 N--CA 1.44 -1.044 0 C-N-CA 125.578 1.561 . . . . 0.0 112.712 172.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -91.74 153.42 19.64 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.403 -1.057 . . . . 0.0 109.101 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tt -69.39 127.61 33.64 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 118.577 0.626 . . . . 0.0 110.045 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -95.34 95.02 8.19 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 128.399 2.68 . . . . 0.0 107.803 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -57.84 -28.51 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.153 0.981 . . . . 0.0 112.385 -173.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.32 -64.28 4.51 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 125.645 1.593 . . . . 0.0 113.414 169.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -65.5 -30.12 70.85 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.614 0.721 . . . . 0.0 109.791 -177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.28 -41.12 97.04 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.182 -0.949 . . . . 0.0 112.312 174.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 24.0 ttm -72.06 -34.65 68.9 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 119.298 0.954 . . . . 0.0 111.573 173.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -57.31 -48.13 79.73 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -51.72 -45.74 63.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.846 1.258 . . . . 0.0 111.144 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.34 -60.55 3.24 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.256 1.022 . . . . 0.0 110.13 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -31.5 69.95 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 119.219 -0.42 . . . . 0.0 110.219 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -56.65 -51.42 68.79 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 126.087 1.755 . . . . 0.0 111.376 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -72.49 -17.83 61.72 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 117.408 -1.282 . . . . 0.0 113.324 -171.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.33 8.51 19.26 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 120.155 1.343 . . . . 0.0 111.968 -171.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.26 167.13 12.88 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 118.881 1.341 . . . . 0.0 109.32 178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.83 167.51 10.88 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -63.08 1.33 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.912 1.685 . . . . 0.0 111.152 -174.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 83.3 m -67.5 -23.43 65.47 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.104 0.411 . . . . 0.0 110.415 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.623 ' O ' HD22 ' A' ' 90' ' ' LEU . 6.2 ttt -61.78 -57.76 10.63 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 169.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.26 79.85 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 119.719 -1.863 . . . . 0.0 112.444 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -73.35 -21.88 60.43 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 117.59 -1.195 . . . . 0.0 112.07 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -65.57 -58.9 4.65 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 120.546 1.521 . . . . 0.0 109.109 166.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.623 HD22 ' O ' ' A' ' 86' ' ' MET . 2.1 mm? -55.69 -41.53 73.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 119.74 1.154 . . . . 0.0 111.968 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.55 -28.02 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 116.7 -1.619 . . . . 0.0 110.933 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.87 -50.07 70.27 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 122.492 2.405 . . . . 0.0 109.866 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.3 mt -67.38 -49.75 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 125.316 1.447 . . . . 0.0 108.29 -174.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.422 HG23 ' CE1' ' A' ' 118' ' ' PHE . 54.9 t -64.71 -51.8 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.764 -178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -56.23 -35.75 67.71 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.62 -68.86 1.48 Allowed Glycine 0 C--N 1.341 0.818 0 C-N-CA 125.945 1.736 . . . . 0.0 112.0 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 33.2 m -46.6 -41.53 14.69 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 116.319 -1.801 . . . . 0.0 111.423 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -50.37 -28.98 8.99 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 121.869 2.122 . . . . 0.0 112.445 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.72 -58.92 1.8 Allowed 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 125.287 1.435 . . . . 0.0 109.541 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.02 -38.09 78.45 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.463 1.105 . . . . 0.0 112.315 -168.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.4 m -61.09 114.8 11.57 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.09 137.4 21.47 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 122.14 1.893 . . . . 0.0 107.359 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -145.87 -176.75 5.26 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.515 0.674 . . . . 0.0 110.794 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -119.1 176.4 5.32 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.807 1.643 . . . . 0.0 107.358 162.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -3.11 11.95 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.887 0.875 . . . . 0.0 112.599 -171.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.57 97.37 0.78 Allowed 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 166.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -59.59 -22.16 61.38 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.847 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 18.5 m -55.87 -53.51 55.91 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 118.093 -0.956 . . . . 0.0 109.148 168.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.7 mm -67.73 -48.07 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 C-N-CA 125.738 1.615 . . . . 0.0 110.957 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -50.38 -60.24 3.2 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 118.703 0.683 . . . . 0.0 110.72 175.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.7 m -64.34 -31.29 72.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.319 0.963 . . . . 0.0 111.382 -177.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -54.81 31.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.729 1.212 . . . . 0.0 110.122 171.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.27 -45.22 95.67 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.644 -0.983 . . . . 0.0 110.644 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.1 t -57.82 -47.38 86.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 123.641 0.777 . . . . 0.0 109.371 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.8 95.09 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.856 -0.528 . . . . 0.0 111.012 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.1 m -72.43 -33.54 67.17 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 117.885 -1.055 . . . . 0.0 112.118 -173.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.5 p -67.52 -54.29 21.32 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.55 1.523 . . . . 0.0 108.585 170.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.422 ' CE1' HG23 ' A' ' 94' ' ' VAL . 80.7 t80 -51.74 -47.93 63.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.924 1.29 . . . . 0.0 112.412 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -49.23 -50.65 37.55 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.458 1.027 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.53 68.33 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -70.6 -41.08 72.79 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.275 1.03 . . . . 0.0 110.535 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 8.0 mm -57.93 -39.59 72.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.736 0.814 . . . . 0.0 109.128 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -63.48 -39.93 95.75 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.224 0.609 . . . . 0.0 111.402 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -66.66 -35.19 79.56 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.772 -0.58 . . . . 0.0 111.024 176.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.82 -11.15 59.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.778 1.231 . . . . 0.0 111.36 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 66.54 22.85 10.52 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 128.543 2.737 . . . . 0.0 112.67 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -82.25 29.09 0.43 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.267 -1.521 . . . . 0.0 113.749 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 117.804 -1.093 . . . . 0.0 109.183 160.281 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 118.945 -0.55 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -57.24 -42.56 81.69 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.839 0.855 . . . . 0.0 110.893 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -51.47 -52.17 48.76 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.042 0.937 . . . . 0.0 110.54 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.1 t -58.72 -46.52 90.56 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 124.037 0.935 . . . . 0.0 109.837 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 tpt -64.69 -36.47 84.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 119.468 1.031 . . . . 0.0 110.751 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -66.78 -47.67 71.41 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.386 1.074 . . . . 0.0 110.043 171.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -63.24 -32.49 73.9 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 125.244 1.417 . . . . 0.0 112.586 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.06 -49.92 76.05 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.568 1.147 . . . . 0.0 108.021 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.9 m -62.83 -30.87 71.81 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -66.13 -49.59 66.92 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -81.83 -29.17 32.73 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.819 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.24 -55.62 32.68 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.955 0.902 . . . . 0.0 108.736 170.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.81 34.92 1.42 Allowed Glycine 0 CA--C 1.525 0.7 0 CA-C-O 118.686 -1.063 . . . . 0.0 113.611 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -66.01 -72.98 0.14 Allowed 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 119.753 1.776 . . . . 0.0 108.209 166.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.9 26.26 0.06 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.21 1.404 . . . . 0.0 114.205 -169.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.58 -48.03 76.49 Favored 'General case' 0 C--O 1.223 -0.291 0 O-C-N 120.515 -1.365 . . . . 0.0 110.122 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -27.15 69.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.636 1.107 . . . . 0.0 111.174 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.23 -57.29 7.9 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 172.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.2 m -55.41 -37.78 68.07 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.855 0.862 . . . . 0.0 110.987 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -57.26 -59.32 5.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.424 1.489 . . . . 0.0 110.507 175.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -45.46 88.37 Favored 'General case' 0 N--CA 1.422 -1.874 0 C-N-CA 125.246 1.419 . . . . 0.0 109.263 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -43.02 98.76 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.264 1.026 . . . . 0.0 111.487 -173.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 45.3 mtp -112.1 -1.84 15.18 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 124.108 0.963 . . . . 0.0 111.746 -164.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.1 m 51.63 86.05 0.04 OUTLIER 'General case' 0 C--O 1.237 0.425 0 C-N-CA 126.697 1.999 . . . . 0.0 110.157 -163.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.33 143.38 48.41 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 123.296 0.638 . . . . 0.0 109.583 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -81.34 161.91 23.63 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.084 1.354 . . . . 0.0 111.902 -167.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.35 -15.68 63.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.14 -0.975 . . . . 0.0 111.547 168.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.59 -16.58 26.51 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.534 -0.746 . . . . 0.0 112.996 168.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.66 -33.46 8.45 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 120.038 1.29 . . . . 0.0 110.791 168.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -68.08 -29.44 68.39 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.551 1.541 . . . . 0.0 109.014 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.7 -44.16 87.0 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.092 1.757 . . . . 0.0 111.869 163.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -63.04 -60.27 3.67 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 118.854 0.752 . . . . 0.0 109.179 -176.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -54.76 -25.86 30.56 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.127 1.771 . . . . 0.0 113.156 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -77.36 -57.66 3.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.357 0.663 . . . . 0.0 110.733 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -79.73 -0.02 32.47 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.714 1.205 . . . . 0.0 111.83 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -49.04 -44.57 41.74 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.201 1.4 . . . . 0.0 111.142 -167.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -83.15 29.79 0.47 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.599 1.56 . . . . 0.0 114.399 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -168.34 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.086 -1.634 . . . . 0.0 108.4 162.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -118.96 23.76 11.22 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.541 -1.35 . . . . 0.0 113.685 -168.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.97 30.35 0.03 OUTLIER Glycine 0 CA--C 1.523 0.564 0 C-N-CA 125.349 1.452 . . . . 0.0 110.298 -176.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.41 126.42 28.2 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -94.42 138.66 32.09 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 122.149 0.976 . . . . 0.0 110.799 165.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.53 HG22 ' CD1' ' A' ' 112' ' ' LEU . 33.0 mt -106.78 115.71 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 104.234 -2.506 . . . . 0.0 104.234 -178.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -126.61 -14.06 5.82 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.698 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -68.65 120.66 14.99 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.256 0.935 . . . . 0.0 109.444 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -54.33 -30.8 52.57 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.68 0.792 . . . . 0.0 109.868 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.63 -38.01 89.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.925 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 p -68.23 -44.72 75.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.445 1.02 . . . . 0.0 108.904 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.462 ' HA3' ' HB2' ' A' ' 112' ' ' LEU . . . -51.8 -46.0 54.9 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.334 0.968 . . . . 0.0 112.175 177.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.457 ' SG ' ' HE3' ' A' ' 53' ' ' MET . 0.0 OUTLIER -74.89 -33.9 62.12 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.542 177.378 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.25 77.12 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.837 1.199 . . . . 0.0 109.75 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.1 mt -53.83 -51.5 44.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.485 1.514 . . . . 0.0 108.812 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.457 ' HE3' ' SG ' ' A' ' 50' ' ' CYS . 5.7 ttm -57.62 -44.45 85.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.148 0.579 . . . . 0.0 112.221 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.1 t -60.37 -48.13 83.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.546 -0.721 . . . . 0.0 109.985 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.41 -41.45 84.98 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.197 0.599 . . . . 0.0 110.301 176.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.3 m -56.98 -51.68 68.25 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.055 0.843 . . . . 0.0 111.645 172.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 m -50.34 -49.11 54.97 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.451 1.478 . . . . 0.0 111.26 171.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -66.69 -10.97 52.02 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.547 -0.739 . . . . 0.0 112.541 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 mt -114.76 19.56 15.86 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.654 1.181 . . . . 0.0 110.361 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.5 t30 47.49 48.39 16.78 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 127.418 2.287 . . . . 0.0 109.843 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -97.96 10.13 41.05 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.284 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.5 mt -114.86 109.49 18.23 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 120.149 1.341 . . . . 0.0 108.269 170.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.6 169.88 0.93 Allowed Pre-proline 0 C--O 1.242 0.682 0 C-N-CA 127.611 2.365 . . . . 0.0 109.228 174.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -82.52 43.59 1.52 Allowed 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.402 2.735 . . . . 0.0 113.768 -155.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -149.81 -35.87 0.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 129.582 3.153 . . . . 0.0 109.371 -170.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.14 37.38 2.51 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.102 1.335 . . . . 0.0 110.996 -167.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -120.79 161.26 21.77 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.171 1.388 . . . . 0.0 108.62 173.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.9 123.82 23.54 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 120.063 1.301 . . . . 0.0 110.349 -174.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -76.66 84.68 3.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.969 0.908 . . . . 0.0 109.17 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -56.09 -33.94 65.55 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.053 1.341 . . . . 0.0 113.024 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.65 -62.44 6.36 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -66.37 -24.3 66.47 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 124.21 1.004 . . . . 0.0 112.626 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.72 -51.16 44.48 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.922 1.289 . . . . 0.0 110.7 172.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.7 ttm -62.93 -36.75 84.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.063 0.545 . . . . 0.0 111.064 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -46.22 89.82 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 118.87 0.759 . . . . 0.0 109.967 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -56.49 -40.14 74.45 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.856 0.462 . . . . 0.0 111.026 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.99 -56.28 16.26 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.664 0.786 . . . . 0.0 110.659 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -29.24 69.64 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.466 -0.771 . . . . 0.0 111.984 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -54.86 -42.35 71.92 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 125.391 1.477 . . . . 0.0 111.414 170.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -78.66 -5.13 52.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.255 0.622 . . . . 0.0 112.174 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.32 28.51 57.82 Favored Glycine 0 CA--C 1.524 0.602 0 O-C-N 121.056 -1.027 . . . . 0.0 111.748 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 140.15 58.25 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.46 1.13 . . . . 0.0 108.822 165.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.5 162.34 15.53 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 123.493 0.495 . . . . 0.0 109.858 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.17 -53.96 50.43 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 118.775 -0.631 . . . . 0.0 111.454 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.8 m -62.88 -34.58 77.7 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 118.684 0.675 . . . . 0.0 110.803 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.404 ' O ' HD22 ' A' ' 90' ' ' LEU . 6.1 ttt -59.89 -58.18 9.66 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.46 74.26 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.548 -0.72 . . . . 0.0 111.752 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -61.04 -46.19 91.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 117.89 -1.052 . . . . 0.0 109.151 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -57.55 -54.06 51.15 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.427 1.491 . . . . 0.0 111.31 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.404 HD22 ' O ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -55.52 -45.06 77.17 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 120.766 1.621 . . . . 0.0 112.642 178.707 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.45 -43.14 87.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 CA-C-N 119.909 1.231 . . . . 0.0 109.85 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.3 -43.82 79.29 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 121.108 1.776 . . . . 0.0 111.127 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.52 -48.39 35.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.884 1.274 . . . . 0.0 109.733 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.459 HG23 ' CE1' ' A' ' 118' ' ' PHE . 41.1 t -58.9 -59.89 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 119.82 1.191 . . . . 0.0 108.811 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -53.96 -25.4 20.52 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.336 1.855 . . . . 0.0 109.821 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -76.19 -62.43 2.6 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 126.64 2.067 . . . . 0.0 111.568 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.58 -29.64 64.62 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 116.434 -1.746 . . . . 0.0 110.296 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -49.29 -27.88 4.26 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 121.951 2.16 . . . . 0.0 113.522 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 -37.52 4.43 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.222 1.009 . . . . 0.0 111.318 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 m -68.75 -22.75 64.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.625 1.17 . . . . 0.0 113.561 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.5 m -91.81 116.39 66.37 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 118.595 0.634 . . . . 0.0 110.117 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.99 133.64 21.93 Favored 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 122.718 2.279 . . . . 0.0 109.052 174.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -161.42 176.73 10.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 129.098 2.959 . . . . 0.0 107.108 170.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.48 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 0.8 OUTLIER -74.02 -169.82 0.82 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.296 0.569 . . . . 0.0 109.706 172.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.8 -3.43 18.84 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.677 0.791 . . . . 0.0 112.8 162.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.48 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 50.2 t0 -71.06 93.56 1.04 Allowed 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -32.65 37.57 Favored 'General case' 0 C--O 1.227 -0.098 0 C-N-CA 124.896 1.279 . . . . 0.0 110.663 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 22.5 m -60.12 -54.73 42.5 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 119.474 1.034 . . . . 0.0 109.622 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.5 mt -64.91 -41.16 91.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 125.183 1.393 . . . . 0.0 109.685 -173.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -57.48 -61.62 2.36 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.082 1.753 . . . . 0.0 111.945 172.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.0 m -59.59 -34.03 72.21 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.848 1.204 . . . . 0.0 111.666 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.53 ' CD1' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -53.2 -50.89 63.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.074 0.95 . . . . 0.0 110.104 169.672 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.66 -53.43 43.7 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.0 t -52.62 -47.2 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.767 1.227 . . . . 0.0 109.474 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.21 -31.31 71.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.33 -0.856 . . . . 0.0 112.969 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 25.5 m -79.17 -48.71 13.77 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.293 1.037 . . . . 0.0 110.737 -175.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 8.8 p -59.77 -43.23 94.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.005 0.821 . . . . 0.0 109.991 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.459 ' CE1' HG23 ' A' ' 94' ' ' VAL . 89.1 t80 -59.39 -46.66 88.07 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.546 1.138 . . . . 0.0 110.817 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -48.1 -51.61 23.88 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.195 0.907 . . . . 0.0 111.083 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.62 -33.1 71.08 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.49 -43.96 95.76 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 120.838 -1.164 . . . . 0.0 109.297 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.9 mm -57.34 -42.43 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 119.012 0.824 . . . . 0.0 110.342 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -57.1 -52.17 66.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.695 0.398 . . . . 0.0 110.334 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -58.93 -46.34 88.2 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.311 -0.868 . . . . 0.0 112.168 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.05 -13.75 29.21 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.748 1.219 . . . . 0.0 110.62 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 60.66 50.6 5.51 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 128.859 2.864 . . . . 0.0 110.622 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -110.03 25.48 11.74 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.284 1.434 . . . . 0.0 111.281 -174.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.942 0 O-C-N 121.201 -0.937 . . . . 0.0 109.12 172.396 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.467 0.383 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -62.49 -40.43 96.67 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.653 0.781 . . . . 0.0 110.456 -172.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -49.36 66.86 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 124.543 1.137 . . . . 0.0 110.664 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -65.46 -31.93 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.719 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -48.85 79.92 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.745 1.611 . . . . 0.0 109.212 174.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -56.49 -50.16 72.59 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.542 1.137 . . . . 0.0 110.247 176.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -65.45 -43.62 89.8 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.508 0.723 . . . . 0.0 112.066 -177.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.1 mt -59.33 -52.88 63.73 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 124.844 1.258 . . . . 0.0 108.753 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 p -66.41 -22.84 66.23 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.299 0.5 . . . . 0.0 112.238 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -73.23 -57.33 4.09 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 124.529 1.132 . . . . 0.0 108.098 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -64.28 -40.13 95.33 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.921 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HA ' HD11 ' A' ' 59' ' ' LEU . 2.3 t80 -52.31 -48.14 65.58 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.998 0.919 . . . . 0.0 110.353 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.16 20.34 17.16 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-O 118.942 -0.921 . . . . 0.0 114.471 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -55.48 -65.35 0.61 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.817 1.809 . . . . 0.0 110.184 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.85 22.02 0.07 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.141 1.376 . . . . 0.0 112.676 -178.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 tp -54.43 -51.09 66.05 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 119.857 1.208 . . . . 0.0 110.414 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -72.49 -34.69 67.84 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.526 -172.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -55.8 -58.34 8.25 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 170.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.6 m -55.94 -33.93 65.18 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.689 0.796 . . . . 0.0 113.134 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -60.91 -60.4 3.85 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -65.56 -39.3 91.52 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 118.955 0.798 . . . . 0.0 109.526 -174.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.55 -44.19 69.04 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.799 1.24 . . . . 0.0 112.447 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.0 mtm -112.77 8.03 18.72 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.316 1.046 . . . . 0.0 112.175 -172.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m 47.0 75.12 0.13 Allowed 'General case' 0 C--O 1.234 0.265 0 C-N-CA 126.123 1.769 . . . . 0.0 111.888 -166.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -112.08 164.32 13.28 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.7 p -104.14 173.25 6.38 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -157.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -28.85 64.71 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 115.617 -2.135 . . . . 0.0 110.367 171.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.37 10.51 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 124.903 1.281 . . . . 0.0 113.367 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.513 HG22 HG22 ' A' ' 48' ' ' THR . 5.7 pt -65.47 -20.55 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 118.313 -0.851 . . . . 0.0 112.103 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -60.76 -34.47 74.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 120.301 1.41 . . . . 0.0 110.211 167.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -35.06 66.95 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -174.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.406 ' OD2' HG23 ' A' ' 43' ' ' ILE . 5.0 t0 -60.72 -63.47 1.29 Allowed 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 119.201 0.91 . . . . 0.0 108.931 169.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -63.53 -29.81 71.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -168.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -66.68 -58.94 4.09 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.465 1.506 . . . . 0.0 110.439 167.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -80.72 9.79 5.76 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.819 1.248 . . . . 0.0 112.305 -175.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -58.11 -34.9 70.69 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 119.975 -1.703 . . . . 0.0 108.245 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -101.79 19.79 17.55 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.45 2.3 . . . . 0.0 112.251 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -70.61 176.39 4.17 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-O 122.964 1.364 . . . . 0.0 109.686 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.06 32.28 0.14 Allowed 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 127.811 2.444 . . . . 0.0 116.103 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.01 2.76 4.61 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.32 0.962 . . . . 0.0 112.828 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -46.07 150.57 0.57 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.368 1.867 . . . . 0.0 112.538 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -111.19 136.18 50.64 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 122.194 0.997 . . . . 0.0 112.872 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.406 HG23 ' OD2' ' A' ' 32' ' ' ASP . 90.8 mt -107.45 104.43 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -129.67 2.3 4.96 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.796 0.725 . . . . 0.0 112.915 174.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -65.24 125.08 23.91 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.718 0.807 . . . . 0.0 109.821 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -67.03 -29.24 68.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.749 -1.22 . . . . 0.0 109.518 171.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -61.46 -37.26 82.92 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.513 HG22 HG22 ' A' ' 29' ' ' ILE . 44.4 p -73.82 -39.99 63.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.2 -45.82 43.49 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.887 1.232 . . . . 0.0 111.444 171.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -36.66 69.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 178.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.22 86.05 Favored 'General case' 0 CA--C 1.526 0.029 0 CA-C-N 118.995 0.816 . . . . 0.0 109.862 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.434 HD13 ' CB ' ' A' ' 115' ' ' ALA . 55.8 mt -51.19 -55.1 8.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.06 -41.15 96.07 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -176.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.8 t -59.09 -46.59 87.91 Favored 'General case' 0 CA--C 1.523 -0.066 0 O-C-N 121.669 -0.644 . . . . 0.0 110.304 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.3 -38.76 92.19 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 117.535 -1.221 . . . . 0.0 109.275 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -52.4 -51.68 57.8 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 120.642 1.565 . . . . 0.0 110.92 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 m -52.0 -59.79 3.94 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.693 0.678 . . . . 0.0 110.685 172.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -66.33 -16.56 64.15 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -170.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 12' ' ' PHE . 49.2 mt -86.72 -2.86 58.87 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 120.927 -1.108 . . . . 0.0 112.275 175.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 42.25 81.76 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.543 1.937 . . . . 0.0 109.542 -151.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.9 mtp -122.97 6.65 9.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.773 169.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.8 mt -110.12 142.18 41.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.256 0.934 . . . . 0.0 108.807 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -71.5 170.34 12.27 Favored Pre-proline 0 CA--C 1.536 0.435 0 C-N-CA 124.276 1.031 . . . . 0.0 109.243 171.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -84.35 41.85 1.07 Allowed 'Trans proline' 0 N--CA 1.455 -0.747 0 CA-C-N 119.736 0.941 . . . . 0.0 110.622 -172.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -147.61 -23.92 0.37 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.95 2.1 . . . . 0.0 110.129 -173.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 115.71 -1.95 21.61 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 126.728 2.109 . . . . 0.0 113.69 173.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -78.7 172.54 13.57 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.685 1.243 . . . . 0.0 108.419 171.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt -72.11 141.13 49.17 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 120.704 -1.248 . . . . 0.0 110.063 163.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -84.66 108.6 17.47 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.592 0.757 . . . . 0.0 110.268 173.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -58.66 -36.21 73.8 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 120.54 -1.35 . . . . 0.0 113.96 -174.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.78 -67.28 2.12 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -56.92 -33.55 67.08 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -171.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.11 78.05 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.011 0.924 . . . . 0.0 109.938 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 42.0 ttm -69.55 -29.92 67.6 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 121.842 -0.536 . . . . 0.0 112.092 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.25 -42.11 99.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.598 1.09 . . . . 0.0 109.406 170.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -58.69 -40.09 82.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.25 0.932 . . . . 0.0 110.255 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.6 -59.16 4.61 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 123.726 0.81 . . . . 0.0 111.207 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -35.39 80.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.688 -0.672 . . . . 0.0 110.241 -175.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -46.47 -55.82 6.89 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.627 1.171 . . . . 0.0 111.147 167.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -75.26 -1.62 24.33 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.184 -0.912 . . . . 0.0 112.89 -174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.55 10.18 44.83 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 119.805 1.184 . . . . 0.0 113.078 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.98 149.07 50.44 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.567 1.184 . . . . 0.0 111.261 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.76 165.85 23.12 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 176.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.29 -54.33 18.23 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.515 -0.74 . . . . 0.0 111.391 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 61.2 m -58.51 -38.01 76.81 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 118.729 0.695 . . . . 0.0 109.76 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.623 ' O ' HD22 ' A' ' 90' ' ' LEU . 9.6 ttt -57.54 -60.32 3.83 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.734 0.814 . . . . 0.0 108.91 173.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.47 74.11 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 119.044 -0.503 . . . . 0.0 111.749 -171.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.97 -39.95 68.97 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 117.05 -1.452 . . . . 0.0 110.536 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -49.9 -57.38 7.57 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 120.113 1.324 . . . . 0.0 109.505 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.623 HD22 ' O ' ' A' ' 86' ' ' MET . 0.4 OUTLIER -54.67 -48.26 72.6 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 117.114 -1.422 . . . . 0.0 112.932 177.724 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.69 -35.15 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 120.034 1.288 . . . . 0.0 111.023 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -64.87 -47.69 76.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 120.366 1.439 . . . . 0.0 109.009 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.3 mt -61.02 -55.64 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 124.17 0.988 . . . . 0.0 108.441 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.7 t -58.16 -52.43 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.437 1.095 . . . . 0.0 109.817 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -62.91 -43.25 99.29 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 -168.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.19 -60.67 7.82 Favored Glycine 0 C--N 1.343 0.942 0 C-N-CA 125.17 1.367 . . . . 0.0 110.271 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.2 m -55.18 -35.48 64.84 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 125.279 1.432 . . . . 0.0 112.713 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.7 -17.65 9.63 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 121.995 2.179 . . . . 0.0 113.118 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -113.03 -46.15 3.12 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.411 1.485 . . . . 0.0 110.678 171.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 m -57.05 -48.35 78.74 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.536 1.534 . . . . 0.0 112.331 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.0 m -62.11 124.17 81.0 Favored Pre-proline 0 N--CA 1.447 -0.6 0 C-N-CA 124.248 1.019 . . . . 0.0 110.31 -175.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.83 148.57 41.22 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.087 2.525 . . . . 0.0 109.872 165.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -151.33 -173.7 4.59 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.276 1.83 . . . . 0.0 108.553 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -109.29 -177.25 3.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 152.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -22.08 9.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 125.456 1.502 . . . . 0.0 113.056 -178.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -61.95 96.26 0.07 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.882 1.273 . . . . 0.0 109.521 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.453 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -48.11 -29.98 4.11 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.696 1.198 . . . . 0.0 111.567 168.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 38.8 m -61.1 -52.47 64.77 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.783 1.174 . . . . 0.0 109.594 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.9 mm -62.06 -49.31 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.671 1.588 . . . . 0.0 108.772 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.453 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 39.4 t90 -49.19 -58.55 4.81 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 125.73 1.612 . . . . 0.0 110.991 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.7 m -62.11 -37.85 86.66 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 119.5 -0.286 . . . . 0.0 111.142 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -46.76 69.12 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.412 1.085 . . . . 0.0 109.766 171.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.33 -49.28 62.03 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 123.978 0.799 . . . . 0.0 111.608 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.55 -44.3 84.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 118.117 0.958 . . . . 0.0 109.589 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.434 ' CB ' HD13 ' A' ' 52' ' ' ILE . . . -65.6 -33.26 75.5 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.615 -1.303 . . . . 0.0 111.751 176.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 m -80.18 -29.82 38.71 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 117.652 -1.166 . . . . 0.0 112.963 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.71 -54.46 31.26 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.903 1.683 . . . . 0.0 107.439 164.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -54.02 -44.11 70.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.847 1.659 . . . . 0.0 112.487 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -43.22 -60.94 1.48 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.818 1.247 . . . . 0.0 109.786 172.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.47 -31.86 68.22 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 123.102 0.251 . . . . 0.0 111.574 -171.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.57 -46.85 74.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.666 1.186 . . . . 0.0 111.152 172.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 13.9 mm -56.0 -42.93 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 120.655 1.57 . . . . 0.0 110.13 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -62.37 -42.91 99.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.35 0.66 . . . . 0.0 110.179 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -44.88 90.47 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 120.327 -1.483 . . . . 0.0 108.791 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.45 -10.7 59.84 Favored 'General case' 0 N--CA 1.438 -1.07 0 O-C-N 124.809 1.318 . . . . 0.0 110.552 -174.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.7 t30 69.77 28.99 4.23 Favored 'General case' 0 C--N 1.342 0.278 0 C-N-CA 127.802 2.441 . . . . 0.0 111.818 -176.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -94.74 42.43 1.09 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.508 1.123 . . . . 0.0 110.891 -173.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 131.169 3.787 . . . . 0.0 104.079 -146.614 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 N--CA 1.464 0.27 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -47.72 77.24 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.406 1.482 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -52.87 -56.36 16.4 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.611 1.164 . . . . 0.0 111.83 -165.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.9 t -69.99 -25.71 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 123.546 0.738 . . . . 0.0 110.509 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -49.66 72.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 119.674 1.124 . . . . 0.0 109.592 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -54.51 -55.91 24.27 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -59.85 -37.16 78.47 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 123.866 0.867 . . . . 0.0 112.618 -173.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.44 -55.11 34.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 124.446 1.098 . . . . 0.0 109.369 174.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 m -62.83 -29.57 70.83 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.53 -46.95 68.19 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.593 1.557 . . . . 0.0 108.158 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.439 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 20.8 m-80 -77.1 -32.36 56.53 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.729 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.53 -49.59 67.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.744 1.218 . . . . 0.0 108.363 167.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.06 7.32 3.26 Favored Glycine 0 CA--C 1.537 1.46 0 CA-C-O 118.377 -1.235 . . . . 0.0 115.847 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HG3' ' HA ' ' A' ' 11' ' ' ASN . 31.9 mttt -65.58 -40.27 92.54 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.599 2.699 . . . . 0.0 111.274 175.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.34 11.08 9.03 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.98 1.264 . . . . 0.0 113.737 -178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.13 -42.96 83.59 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 120.91 -1.119 . . . . 0.0 111.333 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.35 -28.99 65.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.316 0.646 . . . . 0.0 110.677 -172.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.6 -60.66 3.44 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.897 1.279 . . . . 0.0 108.193 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.3 m -54.31 -36.13 63.39 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.955 0.902 . . . . 0.0 110.872 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -61.37 -52.36 64.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 120.432 -1.417 . . . . 0.0 111.058 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 tttm -59.8 -50.15 74.94 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.54 -60.85 2.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.713 0.805 . . . . 0.0 110.862 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.1 mtp -94.58 4.5 53.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.381 0.673 . . . . 0.0 111.274 -161.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.5 m 46.76 87.86 0.02 OUTLIER 'General case' 0 C--O 1.236 0.382 0 C-N-CA 125.481 1.512 . . . . 0.0 109.806 -159.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HB3' HD13 ' A' ' 29' ' ' ILE . 36.1 mt -115.73 143.81 44.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.447 0.567 . . . . 0.0 110.317 173.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -76.78 -171.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 122.868 1.318 . . . . 0.0 112.713 -173.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.13 -9.97 49.04 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 121.086 -1.009 . . . . 0.0 111.868 167.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.91 -24.68 67.6 Favored 'General case' 0 C--O 1.228 -0.057 0 CA-C-N 119.029 0.831 . . . . 0.0 111.287 177.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -72.66 -36.31 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 171.744 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -70.98 -16.87 62.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 123.72 0.808 . . . . 0.0 110.277 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.47 -51.71 11.24 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -55.34 -59.38 4.88 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -58.36 -30.63 66.91 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.63 -1.294 . . . . 0.0 113.699 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -69.83 -42.1 74.07 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.356 0.98 . . . . 0.0 111.277 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -105.18 0.39 27.29 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 125.25 1.42 . . . . 0.0 113.803 -167.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -45.61 -42.83 11.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 129.406 3.082 . . . . 0.0 111.651 -169.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -90.1 45.25 1.25 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.572 1.149 . . . . 0.0 113.112 173.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -81.93 172.44 13.28 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.409 1.084 . . . . 0.0 108.572 166.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -49.79 83.76 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 127.82 2.448 . . . . 0.0 112.069 163.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.63 29.48 7.74 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 117.406 -1.774 . . . . 0.0 115.0 174.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -48.31 147.2 2.4 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 119.819 1.809 . . . . 0.0 108.545 172.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -118.22 133.62 55.73 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 122.255 1.026 . . . . 0.0 109.723 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.3 mt -97.85 124.77 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 104.113 -2.551 . . . . 0.0 104.113 -163.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -124.25 -32.06 3.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -172.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.13 110.16 0.89 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.221 1.009 . . . . 0.0 110.235 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -54.56 -28.23 44.43 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.279 -0.888 . . . . 0.0 111.144 173.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.34 -31.7 73.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 117.495 -1.241 . . . . 0.0 112.38 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -41.3 73.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 120.347 1.431 . . . . 0.0 108.522 -178.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.92 43.36 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.72 1.152 . . . . 0.0 111.613 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -38.03 89.3 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.82 -0.812 . . . . 0.0 113.03 175.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.98 91.89 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.681 0.673 . . . . 0.0 109.976 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.42 -42.03 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.29 1.436 . . . . 0.0 109.562 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -62.07 -47.6 83.94 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.516 0.727 . . . . 0.0 111.064 176.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.33 -48.85 80.0 Favored 'General case' 0 N--CA 1.461 0.106 0 O-C-N 121.914 -0.491 . . . . 0.0 110.648 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.7 mt -54.82 -47.76 73.68 Favored 'General case' 0 C--O 1.227 -0.11 0 C-N-CA 123.823 0.849 . . . . 0.0 109.796 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -47.87 -58.67 4.08 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.887 0.875 . . . . 0.0 111.693 173.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -39.73 91.26 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 119.961 -1.712 . . . . 0.0 111.07 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -58.3 -43.51 88.12 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.421 1.088 . . . . 0.0 109.885 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -79.86 -12.24 59.76 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 126.419 1.888 . . . . 0.0 111.25 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t30 75.93 74.69 0.09 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 129.254 3.022 . . . . 0.0 109.297 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 23.0 mtp -131.12 16.63 5.08 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.665 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.3 mt -114.58 124.57 52.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 121.024 1.738 . . . . 0.0 107.957 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.61 166.4 3.32 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 124.477 1.111 . . . . 0.0 108.332 173.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -66.36 -17.03 53.34 Favored 'Trans proline' 0 CA--C 1.535 0.532 0 C-N-CA 121.925 1.75 . . . . 0.0 112.253 -175.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -85.78 -35.26 20.84 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 120.692 -1.255 . . . . 0.0 109.426 173.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.75 -1.46 17.78 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 129.089 3.233 . . . . 0.0 112.403 -170.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -72.33 25.51 0.05 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.383 1.873 . . . . 0.0 114.994 -172.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.49 HD13 ' CG1' ' A' ' 94' ' ' VAL . 1.6 tt 65.15 125.24 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.539 2.736 . . . . 0.0 113.412 -174.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -85.56 91.49 8.27 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.403 -0.811 . . . . 0.0 109.922 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -58.92 -36.3 74.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 123.996 0.918 . . . . 0.0 112.874 -173.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.14 -68.82 1.5 Allowed Glycine 0 CA--C 1.528 0.888 0 CA-C-O 119.424 -0.653 . . . . 0.0 111.571 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -51.18 -38.02 49.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.264 1.032 . . . . 0.0 112.473 174.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.72 93.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.076 0.853 . . . . 0.0 111.483 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.5 ttm -68.69 -40.71 79.94 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.177 0.991 . . . . 0.0 110.819 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -49.13 63.68 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.922 1.689 . . . . 0.0 109.459 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.66 -43.5 89.86 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.536 1.134 . . . . 0.0 111.306 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.93 -56.57 19.52 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.225 0.466 . . . . 0.0 110.336 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -29.56 70.85 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.577 0.751 . . . . 0.0 111.813 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -59.16 -40.43 85.57 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.946 1.298 . . . . 0.0 111.28 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -81.11 -17.24 50.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 117.961 0.346 . . . . 0.0 111.298 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.92 20.78 10.91 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.45 1.024 . . . . 0.0 112.714 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.71 147.69 52.97 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.798 1.299 . . . . 0.0 109.345 170.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.96 157.86 37.48 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -177.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -61.25 -49.16 78.23 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.41 1.484 . . . . 0.0 112.736 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -58.59 -43.84 89.65 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.6 ttt -59.31 -56.97 15.34 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.518 0.727 . . . . 0.0 109.303 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.29 68.44 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.193 -0.942 . . . . 0.0 112.729 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -68.98 -40.35 78.86 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 117.794 -1.098 . . . . 0.0 110.616 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -54.28 -48.74 70.89 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.923 1.238 . . . . 0.0 112.229 171.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.9 -54.78 25.4 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.645 1.111 . . . . 0.0 110.461 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.38 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 CA-C-O 117.093 -1.432 . . . . 0.0 109.926 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.01 -43.62 95.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 120.59 1.541 . . . . 0.0 110.617 -175.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.98 -42.51 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.49 ' CG1' HD13 ' A' ' 68' ' ' LEU . 26.7 t -62.81 -54.03 39.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.284 1.034 . . . . 0.0 109.807 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -53.17 -37.7 62.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.578 1.951 . . . . 0.0 109.092 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.69 4.74 27.14 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 127.543 2.497 . . . . 0.0 114.657 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.408 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 16.4 m -132.12 -33.15 1.35 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.728 1.764 . . . . 0.0 111.538 174.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.577 ' OE1' HG11 ' A' ' 114' ' ' VAL . 7.0 mm-40 -55.56 -19.99 11.87 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 121.793 2.088 . . . . 0.0 113.691 -174.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -113.83 -48.53 2.91 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 120.463 -1.398 . . . . 0.0 109.688 171.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.408 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . 37.4 m -50.43 -53.2 31.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.287 2.235 . . . . 0.0 113.165 -176.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.2 m -59.21 123.3 69.15 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 124.653 1.181 . . . . 0.0 110.189 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.44 134.68 21.05 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.677 2.918 . . . . 0.0 110.548 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -148.18 166.1 28.92 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.452 0.701 . . . . 0.0 110.794 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -90.61 -176.62 4.79 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.116 1.767 . . . . 0.0 109.243 162.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -12.57 47.83 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.67 1.188 . . . . 0.0 112.561 -176.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.401 ' HB3' ' H ' ' A' ' 109' ' ' ILE . 0.5 OUTLIER -63.52 97.91 0.16 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 172.06 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -53.06 -26.61 16.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.056 167.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 45.1 m -61.86 -54.28 44.23 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 119.904 1.229 . . . . 0.0 110.512 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.401 ' H ' ' HB3' ' A' ' 106' ' ' ASP . 9.2 mm -65.28 -38.47 82.69 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 C-N-CA 125.073 1.349 . . . . 0.0 108.804 -171.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -50.16 -72.97 0.04 OUTLIER 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 126.234 1.813 . . . . 0.0 110.706 168.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.3 m -59.66 -29.49 68.09 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.451 0.569 . . . . 0.0 111.694 -173.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.42 -57.38 7.07 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.096 0.958 . . . . 0.0 110.419 168.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.16 -33.3 69.18 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-O 118.553 -1.137 . . . . 0.0 112.167 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.577 HG11 ' OE1' ' A' ' 98' ' ' GLU . 47.6 t -67.97 -34.28 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 119.155 1.477 . . . . 0.0 109.452 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.63 -39.89 64.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.711 -1.243 . . . . 0.0 110.362 171.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.1 m -68.03 -42.86 79.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.081 0.855 . . . . 0.0 111.638 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 26.4 p -57.77 -54.18 49.78 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 119.554 1.07 . . . . 0.0 109.344 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.42 -42.74 74.55 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.59 1.956 . . . . 0.0 111.186 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.93 -51.96 64.47 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.251 176.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.52 -41.76 63.75 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.916 0.78 . . . . 0.0 111.167 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -62.07 -43.39 98.94 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 121.409 -0.807 . . . . 0.0 112.349 177.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.04 -41.1 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.385 0.993 . . . . 0.0 110.146 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -58.97 -46.29 88.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -63.37 -43.26 98.13 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.145 -0.972 . . . . 0.0 111.136 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.08 -15.3 63.63 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.927 1.291 . . . . 0.0 112.61 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.61 41.35 2.32 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.042 1.337 . . . . 0.0 110.608 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 23.7 m0 -113.11 29.88 7.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.196 0.999 . . . . 0.0 110.709 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 C-N-CA 125.461 1.504 . . . . 0.0 109.193 178.685 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.489 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -38.34 62.9 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 125.108 1.363 . . . . 0.0 111.525 171.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -41.75 -55.6 2.95 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 128.11 2.564 . . . . 0.0 112.916 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -85.73 -34.84 8.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 O-C-N 122.101 -0.375 . . . . 0.0 110.75 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -43.96 74.37 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.069 0.948 . . . . 0.0 111.607 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -57.34 -53.45 57.93 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.26 1.024 . . . . 0.0 110.455 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -62.23 -37.79 86.72 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.533 1.133 . . . . 0.0 112.02 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.93 -54.39 47.43 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 124.275 1.03 . . . . 0.0 108.887 176.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -71.32 -9.85 58.8 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.98 -0.533 . . . . 0.0 112.101 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -84.92 -53.94 4.99 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.525 1.13 . . . . 0.0 109.325 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.24 -27.97 69.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.677 1.191 . . . . 0.0 111.369 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -53.68 -45.88 70.46 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.603 0.761 . . . . 0.0 110.699 168.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.35 7.27 57.72 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-O 118.397 -1.224 . . . . 0.0 115.011 -176.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -58.84 -29.74 67.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 120.125 1.963 . . . . 0.0 112.743 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.65 14.04 33.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.301 1.04 . . . . 0.0 113.185 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.55 -51.41 69.56 Favored 'General case' 0 C--O 1.228 -0.077 0 O-C-N 121.091 -1.006 . . . . 0.0 111.346 -173.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -66.4 -28.5 68.67 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.24 1.016 . . . . 0.0 111.065 -175.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.68 -54.47 27.05 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -31.41 70.78 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -55.47 -48.98 73.69 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 121.642 -0.661 . . . . 0.0 109.385 170.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -75.58 -20.37 58.66 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.35 0.977 . . . . 0.0 113.356 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.2 -71.48 0.26 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.334 0.97 . . . . 0.0 109.005 172.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.5 mtm -86.78 -0.8 57.04 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.238 1.415 . . . . 0.0 110.984 -165.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 m 61.19 68.64 0.72 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.82 2.448 . . . . 0.0 112.546 -176.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.8 mt -110.27 151.13 27.74 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -96.19 174.08 7.08 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.448 0.699 . . . . 0.0 110.208 -155.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -15.71 62.92 Favored 'General case' 0 N--CA 1.439 -0.996 0 O-C-N 120.825 -1.172 . . . . 0.0 111.657 172.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.27 -34.39 73.68 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 118.918 -0.563 . . . . 0.0 110.195 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.462 ' HB ' HG22 ' A' ' 48' ' ' THR . 3.7 pt -67.8 -29.6 45.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 119.265 0.939 . . . . 0.0 111.277 178.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -61.39 -33.65 74.02 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 119.836 1.198 . . . . 0.0 108.972 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -45.09 74.56 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 175.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.441 ' CB ' HG21 ' A' ' 48' ' ' THR . 0.9 OUTLIER -62.1 -47.45 84.59 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 119.404 1.002 . . . . 0.0 109.777 -175.502 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -65.12 -44.7 87.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.876 1.27 . . . . 0.0 110.898 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -63.18 -54.35 38.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 119.025 0.829 . . . . 0.0 110.069 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -76.49 1.04 17.71 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 117.72 -1.133 . . . . 0.0 112.064 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -51.13 -41.81 60.32 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 121.533 1.969 . . . . 0.0 110.495 -172.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -82.61 8.07 12.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.354 1.462 . . . . 0.0 114.638 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -61.44 166.51 3.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 120.553 1.524 . . . . 0.0 108.966 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.1 40.33 0.91 Allowed 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.725 1.21 . . . . 0.0 113.811 -169.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.83 12.54 0.47 Allowed Glycine 0 CA--C 1.525 0.696 0 CA-C-O 118.602 -1.11 . . . . 0.0 113.849 171.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -55.23 140.9 37.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.47 1.135 . . . . 0.0 109.938 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.03 134.63 50.65 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.093 0.957 . . . . 0.0 110.619 171.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.5 mt -96.69 112.71 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 -176.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -128.17 4.48 5.82 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 174.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.524 ' HB3' HG23 ' A' ' 48' ' ' THR . 2.1 m-20 -65.41 106.29 1.36 Allowed 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 166.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -57.71 -27.62 63.1 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.018 -1.051 . . . . 0.0 109.825 166.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.68 -36.02 71.38 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.967 174.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.524 HG23 ' HB3' ' A' ' 45' ' ' ASN . 15.3 p -69.7 -40.5 76.28 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 120.323 1.419 . . . . 0.0 108.247 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.91 -47.8 52.94 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 118.962 0.801 . . . . 0.0 111.24 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.56 -35.65 73.2 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.876 -0.779 . . . . 0.0 112.928 176.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.24 -50.9 71.17 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.165 0.893 . . . . 0.0 110.766 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.92 -46.31 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 127.465 2.306 . . . . 0.0 108.483 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 10.8 tmm? -60.42 -51.26 70.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.757 0.708 . . . . 0.0 110.805 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.9 t -51.22 -51.8 50.48 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 123.363 0.665 . . . . 0.0 110.078 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.8 mt -53.82 -54.4 38.9 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.347 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.8 m -52.53 -48.77 65.87 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 119.751 1.16 . . . . 0.0 112.127 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -41.96 89.96 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.025 0.83 . . . . 0.0 111.45 176.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -60.18 -35.17 74.77 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.812 -1.18 . . . . 0.0 111.086 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -76.17 -4.54 42.22 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.064 0.847 . . . . 0.0 112.395 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t30 62.54 41.67 9.4 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 129.114 2.966 . . . . 0.0 112.342 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.6 mtt -88.5 -3.32 58.84 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.971 -1.081 . . . . 0.0 112.821 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 69.8 mt -103.29 123.16 46.25 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 171.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.12 -178.71 1.1 Allowed Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 126.483 1.913 . . . . 0.0 110.332 -172.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -57.95 -5.81 2.24 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.47 2.78 . . . . 0.0 115.206 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -100.39 -21.94 15.23 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.374 1.069 . . . . 0.0 111.106 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.7 26.92 66.13 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 118.46 -1.189 . . . . 0.0 112.4 -169.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -136.71 79.9 1.79 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.341 1.571 . . . . 0.0 108.566 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 tp 43.56 113.5 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 130.438 3.495 . . . . 0.0 115.252 -175.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -76.63 91.91 3.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 121.281 -0.887 . . . . 0.0 109.172 165.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -53.65 -39.06 64.71 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.049 0.939 . . . . 0.0 111.9 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.88 -70.29 1.02 Allowed Glycine 0 CA--C 1.523 0.58 0 C-N-CA 126.245 1.879 . . . . 0.0 111.734 171.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.9 -43.05 65.91 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.442 1.121 . . . . 0.0 111.136 -177.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.65 -52.94 58.35 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.411 1.084 . . . . 0.0 111.275 174.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.5 ttm -68.77 -38.01 79.74 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.912 -0.492 . . . . 0.0 111.351 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.48 -53.93 51.72 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.598 1.159 . . . . 0.0 108.439 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -53.76 -45.97 70.8 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.531 1.133 . . . . 0.0 110.804 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.45 -65.54 0.61 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.476 0.311 . . . . 0.0 110.231 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 84' ' ' GLU . 1.7 mptm? -54.95 -41.89 71.67 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.599 0.76 . . . . 0.0 110.058 -175.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -50.29 -47.06 55.65 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 127.43 2.292 . . . . 0.0 113.812 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -73.47 -18.31 61.13 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.541 -0.724 . . . . 0.0 111.371 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.97 4.11 8.01 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.125 1.345 . . . . 0.0 112.617 -173.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.21 153.04 35.82 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 119.882 1.841 . . . . 0.0 110.513 -173.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.27 156.44 39.11 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.665 171.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 0.7 OUTLIER -48.68 -64.8 0.7 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 129.509 3.124 . . . . 0.0 112.259 173.62 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.6 m -72.14 -24.59 61.48 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 120.929 -1.107 . . . . 0.0 110.094 -174.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -45.82 87.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.633 -0.667 . . . . 0.0 109.45 172.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.59 96.81 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 118.713 -0.66 . . . . 0.0 111.065 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -69.09 -35.23 76.27 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.862 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -58.51 -50.68 72.87 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 125.192 1.397 . . . . 0.0 110.16 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.4 mt -51.33 -51.7 51.99 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 118.333 -0.841 . . . . 0.0 109.449 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.53 -44.03 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-O 117.642 -1.171 . . . . 0.0 110.255 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -59.06 -30.68 68.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 120.613 1.551 . . . . 0.0 112.152 -174.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 40.5 mt -91.04 -43.91 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.872 1.269 . . . . 0.0 110.0 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.2 t -62.37 -54.63 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 119.938 1.244 . . . . 0.0 108.518 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -57.83 -39.45 77.68 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.51 1.124 . . . . 0.0 109.157 173.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.49 -16.71 55.56 Favored Glycine 0 C--N 1.341 0.814 0 C-N-CA 126.737 2.113 . . . . 0.0 113.85 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 52.1 m -109.34 -40.12 5.01 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 116.332 -1.794 . . . . 0.0 111.069 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -49.5 -29.09 6.18 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 122.409 2.368 . . . . 0.0 114.622 -170.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.48 -4.89 9.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.274 1.03 . . . . 0.0 112.604 178.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.4 t -87.17 -51.27 6.08 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.015 -1.053 . . . . 0.0 108.837 172.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.3 m -57.21 116.41 13.55 Favored Pre-proline 0 N--CA 1.443 -0.798 0 C-N-CA 127.484 2.314 . . . . 0.0 109.527 -175.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.64 129.2 8.18 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.939 2.426 . . . . 0.0 109.322 174.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.06 177.57 10.66 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.077 1.751 . . . . 0.0 108.765 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.513 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 1.1 m-20 -81.0 -168.48 1.82 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.572 1.149 . . . . 0.0 110.174 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.85 -16.2 57.62 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.441 0.697 . . . . 0.0 111.521 159.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.513 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 9.0 t0 -69.62 96.12 0.92 Allowed 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 121.775 -0.578 . . . . 0.0 110.348 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -52.13 -32.75 36.86 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.263 1.425 . . . . 0.0 111.845 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.0 m -63.84 -52.72 58.84 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.748 1.158 . . . . 0.0 108.894 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 11.2 mm -57.8 -49.19 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.702 1.201 . . . . 0.0 109.59 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -50.18 -65.78 0.5 Allowed 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 126.782 2.033 . . . . 0.0 110.806 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.4 m -59.86 -33.53 71.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.893 0.769 . . . . 0.0 112.155 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.73 -52.91 62.29 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.684 1.129 . . . . 0.0 109.225 170.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.18 -45.61 93.82 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.852 0.751 . . . . 0.0 112.115 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.4 t -62.76 -27.5 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 125.265 1.426 . . . . 0.0 110.257 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -77.02 -45.92 25.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 120.615 -1.303 . . . . 0.0 110.365 172.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.6 m -64.03 -33.8 76.56 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.068 1.303 . . . . 0.0 112.782 -173.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 p -70.67 -51.1 30.01 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.582 1.083 . . . . 0.0 109.687 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -54.92 -45.93 74.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.819 1.648 . . . . 0.0 110.896 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -45.88 -59.57 2.74 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 126.23 1.812 . . . . 0.0 110.256 172.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.57 -39.15 48.75 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.513 0.597 . . . . 0.0 111.889 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.24 -41.75 96.84 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.302 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 16.1 mm -60.11 -44.66 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 120.527 1.512 . . . . 0.0 110.365 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -59.03 -36.99 75.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.216 0.606 . . . . 0.0 110.588 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -78.0 -46.13 21.88 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.059 0.944 . . . . 0.0 111.254 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.74 -14.72 34.64 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.59 1.556 . . . . 0.0 111.305 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 62.51 42.62 8.53 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.763 1.625 . . . . 0.0 110.761 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -100.5 11.49 39.35 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.366 163.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.266 0 N-CA-C 106.317 -1.735 . . . . 0.0 106.317 151.834 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 119.663 -0.208 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.71 -41.43 73.8 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.746 1.218 . . . . 0.0 112.467 178.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -53.11 -52.28 59.15 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.17 0.986 . . . . 0.0 110.845 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -69.78 -47.8 68.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.148 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 tpt -47.86 -52.98 17.1 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.357 1.463 . . . . 0.0 111.248 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.03 -47.74 77.28 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.716 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -67.88 -35.42 78.48 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.617 1.167 . . . . 0.0 112.457 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.45 -54.98 39.0 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 170.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 t -64.54 1.21 0.86 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.956 1.703 . . . . 0.0 113.089 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 tt -104.29 -53.82 2.65 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.197 1.799 . . . . 0.0 107.855 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -61.13 -36.36 79.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.128 1.371 . . . . 0.0 111.453 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.505 ' HA ' HD11 ' A' ' 59' ' ' LEU . 52.4 t80 -47.51 -49.57 25.65 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.516 1.127 . . . . 0.0 110.937 176.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.29 11.38 63.39 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.974 -0.904 . . . . 0.0 114.588 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -57.04 -41.96 79.62 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 120.019 1.91 . . . . 0.0 112.911 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.59 20.09 12.41 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.09 0.956 . . . . 0.0 112.365 -176.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tp -52.44 -51.61 58.32 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.31 1.044 . . . . 0.0 110.428 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.32 -33.88 76.19 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 118.531 0.605 . . . . 0.0 110.512 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.63 -59.68 5.01 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -51.92 -42.03 62.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.407 1.083 . . . . 0.0 111.522 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -57.72 -61.65 2.37 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.05 -1.032 . . . . 0.0 109.701 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -61.21 -41.16 96.37 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.81 0.844 . . . . 0.0 110.479 -173.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -57.24 -50.34 73.2 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.792 2.037 . . . . 0.0 111.815 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.6 mtp -99.51 -4.94 30.15 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.716 0.806 . . . . 0.0 111.715 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 83.2 m 40.17 83.27 0.02 OUTLIER 'General case' 0 C--O 1.24 0.586 0 CA-C-O 123.116 1.436 . . . . 0.0 111.151 -150.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.2 mt -97.36 -175.72 3.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 113.786 -1.552 . . . . 0.0 106.836 154.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.3 p -107.35 176.25 5.22 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 125.984 1.714 . . . . 0.0 109.007 -169.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.33 -9.61 35.35 Favored 'General case' 0 N--CA 1.441 -0.924 0 O-C-N 121.453 -0.78 . . . . 0.0 111.788 162.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.35 71.98 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.792 -0.568 . . . . 0.0 112.18 172.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.7 pt -61.82 -26.92 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-N 119.354 0.979 . . . . 0.0 111.639 170.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -61.46 -31.33 71.29 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -46.03 38.68 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.151 0.98 . . . . 0.0 111.611 174.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CB ' HG21 ' A' ' 48' ' ' THR . 20.2 m-20 -61.13 -17.17 51.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.751 0.82 . . . . 0.0 111.127 176.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -95.79 -47.91 5.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 126.03 1.732 . . . . 0.0 112.345 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -61.54 -34.74 76.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.493 1.517 . . . . 0.0 110.908 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -104.76 13.9 30.56 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.761 1.224 . . . . 0.0 111.803 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -55.06 -46.43 75.4 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.823 1.192 . . . . 0.0 110.58 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.41 ' CH2' HG21 ' A' ' 122' ' ' ILE . 49.8 m95 -88.14 44.2 1.18 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.423 1.489 . . . . 0.0 111.397 177.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 175.1 9.99 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 120.571 -1.331 . . . . 0.0 108.002 158.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -99.51 24.86 7.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.2 1.0 . . . . 0.0 113.687 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.47 12.99 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.34 -0.7 . . . . 0.0 114.347 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -75.21 123.74 25.81 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 118.939 1.369 . . . . 0.0 111.491 -170.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -95.41 134.69 37.94 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.256 1.022 . . . . 0.0 111.27 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 55.1 mt -113.07 108.52 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -170.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -130.33 1.51 4.62 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.529 ' HB3' HG23 ' A' ' 48' ' ' THR . 52.2 t-20 -63.95 106.57 1.05 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -55.43 -27.01 45.25 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.147 -0.971 . . . . 0.0 110.518 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -70.04 -26.29 63.97 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.487 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.529 HG23 ' HB3' ' A' ' 45' ' ' ASN . 43.9 p -68.0 -44.44 76.58 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 177.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA3' ' HB2' ' A' ' 112' ' ' LEU . . . -53.69 -37.66 57.36 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 123.422 0.534 . . . . 0.0 112.986 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -39.2 55.18 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.417 0.608 . . . . 0.0 111.113 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.06 -49.29 72.0 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.56 -50.51 73.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 125.544 1.538 . . . . 0.0 109.705 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 19.0 ttp -53.56 -51.25 63.54 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 120.018 1.281 . . . . 0.0 111.583 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.98 -49.62 76.18 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.05 -45.94 89.49 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 117.897 -1.049 . . . . 0.0 110.294 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 m -56.14 -44.14 78.91 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 121.01 1.732 . . . . 0.0 111.766 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.9 m -53.02 -57.86 8.93 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -67.35 -13.32 61.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.032 1.333 . . . . 0.0 113.076 -170.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.505 HD11 ' HA ' ' A' ' 12' ' ' PHE . 13.2 mt -94.22 6.78 47.57 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.171 0.989 . . . . 0.0 110.899 173.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 62.24 37.55 14.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.894 1.678 . . . . 0.0 110.453 -177.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 36.0 mtm -98.64 -7.57 27.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 117.963 -1.018 . . . . 0.0 112.333 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mp -104.38 116.19 31.7 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -174.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.408 ' HB2' ' HD2' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -64.31 -179.45 0.29 Allowed Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 126.477 1.911 . . . . 0.0 110.56 176.826 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 63' ' ' ASP . 25.4 Cg_endo -69.61 -3.56 12.17 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 121.821 1.681 . . . . 0.0 114.62 -176.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -98.2 -23.04 15.85 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.042 1.337 . . . . 0.0 110.778 173.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.63 13.28 59.83 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 125.675 1.607 . . . . 0.0 112.074 -176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -121.24 58.41 0.97 Allowed 'General case' 0 C--O 1.233 0.204 0 C-N-CA 125.515 1.526 . . . . 0.0 107.502 -167.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 49.57 156.36 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.548 1 C-N-CA 132.48 4.312 . . . . 0.0 116.311 -177.077 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.08 89.6 2.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.412 2.285 . . . . 0.0 105.206 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -61.11 -30.54 70.43 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -173.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.48 -65.89 2.72 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.579 1.085 . . . . 0.0 111.298 166.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -71.38 -22.91 61.82 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.45 81.35 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.77 1.628 . . . . 0.0 111.662 169.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 17.5 ttm -66.01 -37.7 86.59 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 121.767 -0.583 . . . . 0.0 109.661 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -55.33 36.48 Favored 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -45.45 -48.16 13.81 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 123.869 0.868 . . . . 0.0 110.116 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.5 -68.02 0.3 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.613 0.765 . . . . 0.0 111.357 175.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.1 -38.37 73.27 Favored 'General case' 0 C--N 1.344 0.353 0 O-C-N 121.093 -1.005 . . . . 0.0 111.761 -173.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -47.49 -49.05 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.553 1.941 . . . . 0.0 110.992 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -78.52 -2.48 38.92 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.38 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.52 3.92 22.07 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.994 1.283 . . . . 0.0 113.188 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.39 146.15 54.93 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 119.631 1.716 . . . . 0.0 111.155 -165.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.55 160.33 16.82 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 122.209 1.004 . . . . 0.0 109.146 174.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -59.99 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.019 1.328 . . . . 0.0 110.413 176.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.7 m -68.69 -31.79 71.13 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 119.025 0.83 . . . . 0.0 110.551 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 9.5 ttt -55.42 -55.14 35.14 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 119.169 0.895 . . . . 0.0 108.979 170.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.04 -30.14 70.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 120.803 -1.186 . . . . 0.0 111.846 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -66.88 -42.12 86.08 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 119.415 1.007 . . . . 0.0 110.551 171.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -57.19 -48.45 78.72 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.666 1.587 . . . . 0.0 110.104 174.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 mp -55.74 -20.4 14.54 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 125.701 1.601 . . . . 0.0 114.949 175.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.0 mp -103.54 -32.35 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-O 116.694 -1.622 . . . . 0.0 111.335 171.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -60.56 -48.24 82.67 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 121.604 2.002 . . . . 0.0 109.348 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.6 mt -67.49 -49.82 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -176.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.2 t -67.52 -49.12 73.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 118.248 0.476 . . . . 0.0 110.516 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -58.15 -41.84 84.64 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.61 18.09 6.08 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 128.91 3.148 . . . . 0.0 114.42 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 67.5 m -131.8 -28.1 1.83 Allowed 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 125.651 1.58 . . . . 0.0 110.229 168.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -56.47 -17.31 7.79 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 121.857 2.117 . . . . 0.0 114.641 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 -43.6 2.23 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.601 -1.312 . . . . 0.0 108.81 173.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 m -55.86 -40.68 73.26 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 127.494 2.317 . . . . 0.0 113.695 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.8 m -69.17 118.03 57.79 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 171.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -77.94 140.37 18.12 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.518 2.145 . . . . 0.0 108.396 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.43 161.56 42.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.25 0.62 . . . . 0.0 109.361 170.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.61 162.91 3.54 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 151.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -62.23 -5.1 2.1 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.035 1.734 . . . . 0.0 113.69 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -68.53 97.12 0.75 Allowed 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -34.77 23.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 127.195 2.198 . . . . 0.0 115.714 -174.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.96 -45.52 85.38 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 119.976 1.262 . . . . 0.0 109.25 173.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.3 mt -63.51 -44.3 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 119.687 1.131 . . . . 0.0 109.926 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -50.68 -65.84 0.49 Allowed 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.2 1.4 . . . . 0.0 111.008 171.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.8 m -62.49 -34.31 76.59 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.156 0.889 . . . . 0.0 111.983 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.451 ' HB2' ' HA3' ' A' ' 49' ' ' GLY . 7.1 tp -53.75 -47.31 70.77 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.034 1.288 . . . . 0.0 108.681 169.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.59 -45.42 96.36 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.153 0.883 . . . . 0.0 112.335 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 35.9 t -58.32 -39.46 74.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 118.866 1.333 . . . . 0.0 109.332 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.99 77.28 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.653 -1.279 . . . . 0.0 112.467 173.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.5 m -66.38 -41.33 89.54 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.152 0.887 . . . . 0.0 110.519 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.6 p -58.3 -49.73 76.14 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -65.78 -39.09 90.63 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 127.403 2.281 . . . . 0.0 110.673 -172.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -60.53 2.71 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 124.261 1.024 . . . . 0.0 109.275 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.95 74.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 118.848 -0.596 . . . . 0.0 111.325 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.66 -41.7 74.01 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 117.73 -1.129 . . . . 0.0 111.224 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.41 HG21 ' CH2' ' A' ' 37' ' ' TRP . 4.3 mm -60.49 -47.07 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 121.467 1.94 . . . . 0.0 110.29 177.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -65.38 -14.37 60.71 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 176.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -41.76 11.6 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 120.781 1.628 . . . . 0.0 109.175 172.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.477 HD13 ' CZ3' ' A' ' 127' ' ' TRP . 35.9 mt -68.69 -29.01 67.37 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -174.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 20.6 t30 95.42 27.58 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.32 1 C-N-CA 132.607 4.363 . . . . 0.0 110.511 167.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.477 ' CZ3' HD13 ' A' ' 125' ' ' LEU 0.26 6.6 m0 -91.77 27.97 1.92 Allowed 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -168.373 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-N 119.119 0.872 . . . . 0.0 110.375 178.505 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -60.14 -33.43 72.16 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.965 172.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -58.95 -44.96 91.55 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.971 0.805 . . . . 0.0 110.052 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' A' ' 82' ' ' ALA . 56.1 t -62.13 -50.01 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.81 0.844 . . . . 0.0 109.444 174.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -38.34 86.09 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.944 1.247 . . . . 0.0 110.416 -176.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -57.33 -53.93 52.59 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 124.232 1.013 . . . . 0.0 109.535 169.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -53.54 -46.84 70.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.769 1.628 . . . . 0.0 111.595 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -62.83 -59.71 4.48 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 127.639 2.376 . . . . 0.0 109.055 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 t -60.43 -28.37 68.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.145 1.378 . . . . 0.0 111.674 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -70.27 -55.06 10.17 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 125.433 1.493 . . . . 0.0 107.895 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -66.96 -33.5 75.71 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.202 -175.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.484 ' HA ' HD11 ' A' ' 59' ' ' LEU . 62.5 t80 -55.13 -36.88 66.23 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.513 1.125 . . . . 0.0 110.754 172.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.87 13.88 58.02 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 118.45 -1.195 . . . . 0.0 114.322 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -54.09 43.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 120.23 2.015 . . . . 0.0 111.089 -178.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.17 18.38 1.09 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.715 1.206 . . . . 0.0 112.641 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tp -57.96 -54.45 46.82 Favored 'General case' 0 C--O 1.223 -0.318 0 O-C-N 120.779 -1.201 . . . . 0.0 110.966 -174.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.02 -31.28 72.08 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.825 0.739 . . . . 0.0 112.591 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.22 -65.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 169.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.7 m -52.92 -35.69 58.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.915 0.886 . . . . 0.0 112.739 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -59.27 -53.27 60.15 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.422 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -70.58 -32.76 70.28 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.598 1.09 . . . . 0.0 110.8 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.98 -34.62 76.89 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.404 1.002 . . . . 0.0 112.805 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.0 mtm -116.97 9.52 13.74 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.738 1.215 . . . . 0.0 112.916 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.8 m 40.89 72.25 0.16 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-O 123.791 1.758 . . . . 0.0 111.254 -169.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.12 168.99 9.23 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 164.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.8 p -105.91 -171.51 1.92 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.626 1.203 . . . . 0.0 110.059 -159.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.5 -11.51 40.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.537 159.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -33.93 76.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 119.472 1.033 . . . . 0.0 109.897 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.5 pt -61.86 -30.93 49.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 CA-C-O 118.44 -0.791 . . . . 0.0 110.587 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -62.15 -33.66 74.92 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 119.107 0.867 . . . . 0.0 108.695 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -44.16 76.52 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.81 2.044 . . . . 0.0 111.264 176.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -58.19 -58.85 6.65 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -58.49 -34.04 70.46 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.236 -0.915 . . . . 0.0 112.226 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -43.36 86.53 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.662 1.185 . . . . 0.0 110.198 175.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -113.14 5.18 16.94 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 123.723 0.809 . . . . 0.0 111.924 -162.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.444 ' CE1' ' HG3' ' A' ' 119' ' ' LYS . 3.6 t80 -49.69 -42.26 45.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.133 1.773 . . . . 0.0 111.484 -178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -90.39 28.5 1.45 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.962 1.305 . . . . 0.0 112.719 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -79.48 174.52 11.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.885 1.274 . . . . 0.0 107.99 172.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.34 109.97 21.77 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 163.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.3 26.37 18.58 Favored Glycine 0 N--CA 1.466 0.688 0 C-N-CA 123.869 0.747 . . . . 0.0 114.463 166.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -87.98 145.08 26.18 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.573 1.149 . . . . 0.0 109.215 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -121.39 135.67 55.04 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-O 122.502 1.144 . . . . 0.0 110.568 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.9 mt -102.44 105.04 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 104.186 -2.524 . . . . 0.0 104.186 178.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -116.9 -8.38 11.31 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 119.214 -0.422 . . . . 0.0 112.048 169.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -48.14 114.17 0.88 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 126.522 1.929 . . . . 0.0 110.808 173.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -64.18 -28.1 69.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.27 -0.893 . . . . 0.0 110.296 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.75 -28.06 63.39 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.299 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.2 p -66.3 -44.51 83.28 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-N 120.03 1.286 . . . . 0.0 108.17 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.22 -52.14 23.79 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 124.844 1.211 . . . . 0.0 111.022 174.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -30.81 69.51 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.45 -52.25 66.0 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 120.035 1.289 . . . . 0.0 109.559 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.4 mt -55.29 -45.82 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.306 1.442 . . . . 0.0 108.525 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -58.85 -51.33 70.45 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.929 0.892 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.4 t -57.62 -53.87 53.28 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 122.969 0.507 . . . . 0.0 110.365 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 76.9 mt -54.1 -45.25 71.8 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.338 1.055 . . . . 0.0 110.732 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -51.49 -56.83 11.2 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.7 0.8 . . . . 0.0 110.709 174.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -50.36 -54.12 23.96 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.131 0.878 . . . . 0.0 111.0 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -64.02 -21.79 66.65 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.282 1.033 . . . . 0.0 113.308 -170.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 12' ' ' PHE . 21.7 mt -83.33 -2.28 55.32 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.919 0.888 . . . . 0.0 111.765 175.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 72.2 22.04 3.72 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 129.251 3.02 . . . . 0.0 112.226 -165.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.7 mtm -100.03 52.62 0.91 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.531 1.132 . . . . 0.0 110.733 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.5 mt -147.12 142.04 26.94 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 147.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.12 167.1 5.41 Favored Pre-proline 0 C--O 1.242 0.684 0 C-N-CA 126.193 1.797 . . . . 0.0 110.082 172.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.07 11.15 1.24 Allowed 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 124.038 3.159 . . . . 0.0 112.201 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -129.01 -2.51 5.17 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 127.85 2.46 . . . . 0.0 112.381 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.75 1.05 66.04 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 123.982 0.801 . . . . 0.0 114.922 168.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -76.98 170.84 15.78 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.99 0.916 . . . . 0.0 108.749 168.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.6 tp -53.57 155.89 2.84 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 155.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -113.4 106.14 14.23 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 163.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -49.61 -55.49 13.41 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.245 0.618 . . . . 0.0 111.0 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.89 -56.06 6.03 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.369 1.462 . . . . 0.0 113.571 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -70.18 -37.44 75.13 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.945 0.872 . . . . 0.0 111.798 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.77 -47.39 86.52 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.158 0.983 . . . . 0.0 111.404 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -43.24 99.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.27 1.828 . . . . 0.0 110.401 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -57.84 10.81 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 123.716 0.806 . . . . 0.0 109.376 172.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -49.06 -43.86 41.25 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.643 1.177 . . . . 0.0 110.575 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.51 ' HA ' HD11 ' A' ' 8' ' ' LEU . . . -65.0 -59.8 3.75 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 118.551 0.614 . . . . 0.0 112.365 176.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -61.25 -19.99 62.33 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.326 0.966 . . . . 0.0 112.752 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -70.62 -31.09 67.93 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 120.219 -1.551 . . . . 0.0 111.331 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -108.14 13.3 26.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.841 2.056 . . . . 0.0 113.465 -170.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.34 10.87 53.42 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-N 119.854 1.206 . . . . 0.0 114.468 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.416 ' HA ' HG11 ' A' ' 4' ' ' VAL . . . -78.43 129.7 35.23 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 119.413 1.607 . . . . 0.0 112.309 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.61 158.36 6.1 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 122.775 1.274 . . . . 0.0 110.299 166.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -53.88 50.7 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.052 2.141 . . . . 0.0 111.311 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 m -65.94 -39.1 90.19 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.97 -51.98 67.35 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 122.996 0.518 . . . . 0.0 109.732 176.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.24 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 119.091 0.86 . . . . 0.0 112.218 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -65.27 -47.87 75.18 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.369 173.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.05 -44.55 91.83 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.983 1.713 . . . . 0.0 110.594 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.01 -11.44 19.1 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.868 1.267 . . . . 0.0 112.396 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.1 -47.14 11.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 117.827 -1.082 . . . . 0.0 111.115 164.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.43 -30.68 71.77 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 120.985 1.72 . . . . 0.0 110.712 -168.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 56.3 mt -75.96 -47.92 30.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 123.834 0.854 . . . . 0.0 108.702 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.18 -63.13 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 125.033 1.333 . . . . 0.0 109.982 -178.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -54.92 -46.95 74.97 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.018 1.327 . . . . 0.0 108.375 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.95 -23.32 56.64 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 118.394 -1.226 . . . . 0.0 113.277 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.9 m -95.41 -24.8 16.53 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 119.828 1.814 . . . . 0.0 112.029 171.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.42 -29.91 7.18 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 122.259 2.299 . . . . 0.0 113.293 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.03 -35.45 3.48 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 124.971 1.308 . . . . 0.0 111.51 -175.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -34.36 64.1 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.369 1.067 . . . . 0.0 112.099 -178.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.1 m -69.13 121.13 80.75 Favored Pre-proline 0 N--CA 1.45 -0.441 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -74.5 145.85 34.09 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 122.654 2.236 . . . . 0.0 110.271 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.45 -174.33 3.93 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.292 1.437 . . . . 0.0 109.358 -174.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.31 2.6 p30 -112.66 -174.24 2.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 148.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -13.63 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.728 1.211 . . . . 0.0 111.752 178.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -66.17 96.05 0.32 Allowed 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.338 1.455 . . . . 0.0 110.274 171.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -44.71 -35.32 2.61 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.364 1.066 . . . . 0.0 111.969 167.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 34.5 m -61.94 -48.26 81.23 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 119.511 1.051 . . . . 0.0 110.083 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.0 mm -64.15 -45.18 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 125.487 1.515 . . . . 0.0 109.397 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -48.97 -66.94 0.32 Allowed 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.261 1.424 . . . . 0.0 110.471 172.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.0 m -60.98 -29.07 69.45 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.88 -56.23 13.27 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.889 0.876 . . . . 0.0 109.59 169.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.46 -38.31 69.55 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-O 119.236 -0.758 . . . . 0.0 112.533 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.54 -23.67 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 118.717 1.258 . . . . 0.0 108.8 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.4 -49.31 12.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.097 -1.43 . . . . 0.0 111.497 167.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -58.9 -37.97 77.83 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 121.579 1.99 . . . . 0.0 112.458 -171.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 20.2 p -61.05 -61.55 2.5 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -49.94 -46.95 52.65 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 126.327 1.851 . . . . 0.0 111.708 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.444 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 1.9 ttpp -46.07 -57.8 4.15 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 127.413 2.285 . . . . 0.0 110.584 172.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.35 -32.22 72.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.076 0.853 . . . . 0.0 111.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.03 -41.22 82.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.674 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.2 mm -56.17 -45.42 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 119.642 1.11 . . . . 0.0 110.098 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -64.17 -28.35 69.69 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.16 0.584 . . . . 0.0 111.935 175.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -40.46 72.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 119.975 -1.703 . . . . 0.0 107.916 174.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.5 mt -75.28 -4.76 40.97 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.556 1.143 . . . . 0.0 111.388 -172.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.3 t30 58.54 23.83 11.26 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.359 2.263 . . . . 0.0 112.201 -171.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.1 m0 -86.06 27.46 0.9 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.44 1.896 . . . . 0.0 111.154 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 1 C-N-CA 131.776 4.03 . . . . 0.0 107.002 -164.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 55.8 -67.0 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 127.753 2.421 . . . . 0.0 113.01 -166.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -41.67 -69.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 129.883 3.273 . . . . 0.0 110.674 -167.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.88 -35.24 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.759 -175.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -47.49 85.46 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.21 1.804 . . . . 0.0 111.261 177.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.63 -45.74 85.02 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.052 0.941 . . . . 0.0 109.911 175.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -68.36 -36.77 79.69 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 122.639 0.375 . . . . 0.0 111.792 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.39 -46.49 86.22 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 125.032 1.333 . . . . 0.0 110.323 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -53.14 -44.68 67.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.255 1.422 . . . . 0.0 109.329 170.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.25 -38.51 68.87 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 120.664 -1.272 . . . . 0.0 111.208 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.9 -35.05 62.26 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.424 -174.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.456 ' HA ' HD11 ' A' ' 59' ' ' LEU . 3.5 t80 -56.5 -45.38 81.05 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 168.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.89 10.08 1.73 Allowed Glycine 0 CA--C 1.536 1.355 0 CA-C-O 117.878 -1.512 . . . . 0.0 116.573 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -58.73 7.27 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 121.26 2.53 . . . . 0.0 111.52 -176.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 22.55 0.13 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.182 0.993 . . . . 0.0 113.231 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HA ' HD21 ' A' ' 55' ' ' LEU . 16.0 tp -55.79 -53.36 57.67 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 120.713 1.597 . . . . 0.0 110.973 -171.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.48 -28.2 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 122.058 0.932 . . . . 0.0 111.664 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.06 -58.71 5.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.165 170.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.1 m -57.78 -25.56 60.68 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.929 -1.107 . . . . 0.0 112.997 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -64.0 -59.67 4.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 124.214 1.006 . . . . 0.0 108.796 170.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -44.67 85.89 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 119.954 1.252 . . . . 0.0 110.669 -173.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.16 -35.81 17.72 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.507 1.523 . . . . 0.0 112.916 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mtm -119.55 -0.94 10.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.463 1.105 . . . . 0.0 112.721 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.1 m 46.49 82.83 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.821 2.049 . . . . 0.0 111.783 -161.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.0 mt -111.75 138.72 47.95 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.975 0.91 . . . . 0.0 108.93 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 p -75.41 160.22 30.5 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.191 0.996 . . . . 0.0 113.08 -167.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -11.53 60.86 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.158 -0.964 . . . . 0.0 111.969 173.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.28 -30.16 62.11 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.386 171.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 pt -68.8 -29.95 45.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.609 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -61.44 -28.47 69.3 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.01 1.277 . . . . 0.0 108.846 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -45.55 57.44 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 119.218 0.917 . . . . 0.0 109.489 171.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.51 -46.37 90.39 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 119.358 0.981 . . . . 0.0 109.777 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -63.87 -46.29 85.62 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 125.228 1.411 . . . . 0.0 111.54 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -62.24 -52.3 64.3 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.487 1.04 . . . . 0.0 110.368 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 81.3 m-20 -74.09 2.36 9.05 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.783 0.833 . . . . 0.0 111.399 -178.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.78 -27.34 68.82 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 119.544 -1.973 . . . . 0.0 111.909 -171.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -94.65 22.61 6.1 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -64.25 -174.92 0.13 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.965 1.306 . . . . 0.0 110.748 168.793 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.37 54.27 0.89 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.568 2.347 . . . . 0.0 111.388 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.5 17.67 2.34 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.186 1.374 . . . . 0.0 113.378 174.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -62.3 156.72 21.49 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 118.343 1.071 . . . . 0.0 109.888 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -131.24 135.88 47.74 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 125.041 1.336 . . . . 0.0 109.399 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.9 mt -106.93 122.37 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 -170.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -133.12 -26.45 1.7 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 117.746 -1.121 . . . . 0.0 113.332 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -62.23 110.81 1.74 Allowed 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.454 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 2.2 ptm180 -55.81 -24.27 35.13 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.572 1.078 . . . . 0.0 110.768 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.04 -29.36 67.23 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.394 0.677 . . . . 0.0 111.962 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.7 p -71.1 -46.16 62.3 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-N 119.65 1.114 . . . . 0.0 108.73 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.21 -41.53 94.87 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -30.4 65.89 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.991 0.895 . . . . 0.0 112.447 175.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 -53.29 55.93 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.602 1.092 . . . . 0.0 109.887 170.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.9 mt -52.22 -47.78 44.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.274 1.429 . . . . 0.0 108.792 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -59.53 -53.08 62.26 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.566 -0.709 . . . . 0.0 111.526 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.99 -46.78 78.6 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 123.613 0.765 . . . . 0.0 111.092 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' A' ' 16' ' ' LEU . 76.7 mt -55.36 -52.1 64.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.174 0.99 . . . . 0.0 108.666 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.69 -44.9 57.99 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.278 0.631 . . . . 0.0 110.863 176.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.475 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -57.69 -55.76 30.66 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 178.13 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -64.06 -11.78 32.66 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.389 1.476 . . . . 0.0 112.687 -174.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.456 HD11 ' HA ' ' A' ' 12' ' ' PHE . 9.0 mt -96.35 20.95 9.7 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.83 1.252 . . . . 0.0 109.95 175.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.39 19.22 7.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.895 2.078 . . . . 0.0 112.35 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -90.0 -17.39 27.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.64 1.109 . . . . 0.0 111.6 -171.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 57' ' ' THR . 1.3 mp -107.09 118.36 36.51 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -172.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 171.56 0.64 Allowed Pre-proline 0 C--N 1.317 -0.822 0 C-N-CA 124.806 1.243 . . . . 0.0 111.25 176.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -83.15 42.32 1.25 Allowed 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 121.786 1.657 . . . . 0.0 111.211 -171.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -145.53 -41.99 0.22 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.06 2.144 . . . . 0.0 107.084 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.43 15.33 1.45 Allowed Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.711 1.624 . . . . 0.0 113.525 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -109.32 151.67 26.29 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 119.202 1.501 . . . . 0.0 109.371 -168.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt -78.13 110.68 13.32 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 121.316 0.579 . . . . 0.0 110.14 -172.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -74.28 82.68 1.87 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.182 0.993 . . . . 0.0 109.075 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -51.34 -35.19 37.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.098 1.359 . . . . 0.0 113.36 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.4 -44.35 85.04 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.568 0.604 . . . . 0.0 112.477 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -85.92 -35.3 20.58 Favored 'General case' 0 N--CA 1.458 -0.048 0 C-N-CA 124.124 0.97 . . . . 0.0 111.014 -174.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.69 -43.97 37.52 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.949 1.7 . . . . 0.0 111.586 168.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.8 ttm -65.04 -40.64 95.09 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.815 0.846 . . . . 0.0 111.834 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -61.19 -42.64 98.94 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 118.884 0.766 . . . . 0.0 109.636 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -53.31 -44.94 68.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 118.164 0.438 . . . . 0.0 110.904 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.59 -56.96 10.54 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.498 0.719 . . . . 0.0 110.165 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -25.13 64.23 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.73 -0.606 . . . . 0.0 111.76 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -54.05 -53.82 47.78 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.534 1.134 . . . . 0.0 110.311 170.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -72.6 -20.21 61.34 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.386 -175.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.72 11.19 6.62 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.593 1.092 . . . . 0.0 113.782 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.83 141.82 54.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 119.04 1.42 . . . . 0.0 110.646 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 153.73 16.67 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 174.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -55.51 32.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.773 1.629 . . . . 0.0 109.174 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 m -65.84 -37.69 86.87 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 124.269 1.028 . . . . 0.0 110.163 -177.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.5 ttp -60.63 -50.52 73.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.91 -31.67 73.02 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.008 -1.058 . . . . 0.0 111.975 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -64.03 -45.79 87.29 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.819 170.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -55.01 -50.4 69.13 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.753 1.221 . . . . 0.0 110.068 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.1 mp -45.56 -60.84 1.96 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.724 1.21 . . . . 0.0 110.962 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.78 -29.84 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.648 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -69.46 -43.26 73.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 121.047 1.749 . . . . 0.0 110.302 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.9 mt -64.02 -50.8 75.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 125.092 1.357 . . . . 0.0 108.055 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.39 -49.73 79.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.429 0.691 . . . . 0.0 110.697 -175.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.13 -32.37 73.73 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.871 0.869 . . . . 0.0 109.84 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.58 -63.08 4.94 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 17.6 m -59.25 -23.56 62.46 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 115.414 -2.231 . . . . 0.0 113.48 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -48.24 -26.69 2.07 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 122.7 2.5 . . . . 0.0 112.349 175.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 -30.14 1.72 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.696 1.198 . . . . 0.0 112.871 176.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -40.37 89.1 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.545 0.611 . . . . 0.0 110.801 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 55.4 m -63.63 117.88 39.16 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -73.95 144.69 34.74 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 121.941 1.76 . . . . 0.0 109.633 165.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -146.91 -174.83 4.59 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.89 0.876 . . . . 0.0 109.859 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.86 168.01 10.91 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 149.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -68.23 3.34 1.71 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.535 1.134 . . . . 0.0 113.877 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.93 94.26 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 162.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -23.92 35.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 O-C-N 120.61 -1.306 . . . . 0.0 113.052 177.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 14.9 m -55.7 -60.81 2.93 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 167.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.7 mm -61.08 -44.33 98.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 125.865 1.666 . . . . 0.0 110.002 -175.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -55.49 -62.25 1.8 Allowed 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.334 1.053 . . . . 0.0 110.952 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.2 m -59.9 -34.27 72.97 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.825 0.739 . . . . 0.0 111.298 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER -50.66 -54.38 23.48 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.777 1.171 . . . . 0.0 110.365 169.195 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.55 -46.51 93.62 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.029 -0.873 . . . . 0.0 111.26 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.08 -49.36 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 118.088 0.944 . . . . 0.0 109.011 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.13 -16.36 61.45 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.494 -1.379 . . . . 0.0 112.267 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.8 m -88.41 -38.92 14.67 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.695 1.598 . . . . 0.0 111.326 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.1 p -59.5 -47.28 86.14 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.458 ' CE2' HD11 ' A' ' 122' ' ' ILE . 81.1 t80 -59.63 -45.92 90.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 117.123 -1.418 . . . . 0.0 109.906 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -44.17 -55.96 4.43 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.129 1.332 . . . . 0.0 110.886 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.6 -38.98 75.83 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.958 0.345 . . . . 0.0 111.094 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -59.9 -40.1 87.66 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 118.597 0.635 . . . . 0.0 111.017 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.458 HD11 ' CE2' ' A' ' 118' ' ' PHE . 5.5 mm -59.11 -50.91 78.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -175.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -58.21 -45.65 87.26 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.741 0.816 . . . . 0.0 110.951 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -64.25 -31.97 73.38 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.753 -0.592 . . . . 0.0 111.292 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.7 mt -82.24 -3.21 54.68 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.887 2.075 . . . . 0.0 111.68 173.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 63.74 18.77 11.35 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.963 2.505 . . . . 0.0 114.018 -177.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -77.98 34.79 0.2 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.804 2.441 . . . . 0.0 113.652 -173.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.429 1 C-N-CA 131.917 4.087 . . . . 0.0 109.165 -156.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 N--CA 1.465 0.286 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -21.46 57.04 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.681 -0.637 . . . . 0.0 111.954 -164.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.12 -58.78 6.28 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.267 1.427 . . . . 0.0 110.186 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -63.52 -44.23 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 121.463 0.649 . . . . 0.0 110.282 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.7 tpt -50.43 -49.58 54.42 Favored 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 124.873 1.269 . . . . 0.0 112.081 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -56.09 -51.39 68.07 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.294 1.406 . . . . 0.0 109.857 176.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -61.77 -32.95 73.26 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.962 1.305 . . . . 0.0 112.496 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -66.18 -45.15 81.89 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.082 0.953 . . . . 0.0 110.228 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -67.99 -26.49 65.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.763 0.711 . . . . 0.0 112.089 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.7 tp -71.72 -51.82 20.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -68.19 -34.18 75.79 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.416 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -56.02 -54.66 42.19 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 122.917 0.487 . . . . 0.0 110.12 170.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.47 4.07 7.38 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-O 117.392 -1.782 . . . . 0.0 115.545 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -52.07 -64.65 0.75 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.521 2.16 . . . . 0.0 110.287 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.474 ' HB1' ' HZ3' ' A' ' 58' ' ' LYS . . . -78.98 18.31 0.64 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.872 1.269 . . . . 0.0 113.282 -174.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.525 ' HA ' HD21 ' A' ' 55' ' ' LEU . 11.3 tp -53.81 -54.98 30.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 124.574 1.149 . . . . 0.0 109.223 -176.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -70.46 -32.5 70.08 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -170.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.18 -51.68 68.73 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 170.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.89 -34.71 76.52 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.549 0.34 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -57.29 -62.01 2.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -37.53 87.21 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.756 1.162 . . . . 0.0 110.808 -176.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.24 -30.32 64.53 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.609 1.163 . . . . 0.0 112.76 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mtm -119.07 -0.73 11.05 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.624 1.169 . . . . 0.0 111.655 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.1 m 48.33 73.02 0.23 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.3 1.84 . . . . 0.0 110.937 -165.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.9 mt -105.65 147.91 27.96 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 169.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.3 p -83.68 178.83 7.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.417 1.103 . . . . 0.0 111.232 -164.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -73.27 -34.05 65.59 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-O 116.79 -1.576 . . . . 0.0 110.144 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.52 43.51 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 124.409 1.068 . . . . 0.0 113.198 -166.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.435 HG22 HG22 ' A' ' 48' ' ' THR . 7.3 pt -60.78 -24.84 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 124.456 1.102 . . . . 0.0 111.432 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -50.72 -38.27 46.36 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 119.69 1.132 . . . . 0.0 110.077 170.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -41.04 69.19 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.334 1.054 . . . . 0.0 108.859 -178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.23 -23.37 62.91 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.176 0.991 . . . . 0.0 111.747 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -87.2 -46.84 9.37 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.995 1.718 . . . . 0.0 109.976 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -65.73 -54.31 28.97 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.722 1.609 . . . . 0.0 110.427 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -79.92 0.49 31.13 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 117.675 -1.155 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -46.79 -41.93 16.22 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 120.656 1.571 . . . . 0.0 112.623 -170.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.443 ' CH2' HG21 ' A' ' 122' ' ' ILE . 69.1 m95 -83.19 8.49 13.07 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 -175.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 156.49 23.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 122.94 1.352 . . . . 0.0 110.134 176.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -80.54 24.14 0.48 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 -165.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 166.55 17.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.374 0.987 . . . . 0.0 112.774 -173.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -74.61 128.8 36.44 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 118.613 1.206 . . . . 0.0 109.972 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -101.56 149.87 23.66 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 123.007 1.384 . . . . 0.0 113.558 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.5 mt -121.23 122.72 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 C-N-CA 128.371 2.669 . . . . 0.0 104.202 -166.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -142.17 -23.58 0.68 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.141 1.164 . . . . 0.0 114.141 -171.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.46 117.14 7.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -53.4 -29.42 34.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.466 1.106 . . . . 0.0 110.195 166.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -58.58 -37.56 76.04 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.277 1.431 . . . . 0.0 111.59 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.435 HG22 HG22 ' A' ' 29' ' ' ILE . 11.8 p -74.61 -36.92 62.96 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 120.051 1.296 . . . . 0.0 109.475 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -54.71 -51.96 49.07 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -31.5 70.23 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 176.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.26 -49.97 72.02 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 120.233 1.378 . . . . 0.0 110.578 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.4 mt -53.1 -50.43 45.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 125.398 1.479 . . . . 0.0 108.277 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.3 ttp -60.35 -44.99 95.04 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.8 t -63.97 -43.37 95.96 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.072 0.549 . . . . 0.0 110.049 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 16' ' ' LEU . 62.9 mt -58.6 -50.81 72.45 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 173.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.8 m -55.0 -42.3 72.32 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.89 1.223 . . . . 0.0 112.0 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.4 m -49.7 -53.58 23.79 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 120.313 1.415 . . . . 0.0 109.483 169.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.474 ' HZ3' ' HB1' ' A' ' 15' ' ' ALA . 3.3 mttp -66.77 -18.03 65.17 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -173.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -93.85 12.09 27.08 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.923 1.692 . . . . 0.0 111.227 170.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 m120 57.66 29.55 17.46 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.905 2.082 . . . . 0.0 111.278 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.3 mtm -79.13 15.04 1.24 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 120.855 -1.153 . . . . 0.0 112.275 -175.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.3 mt -125.44 117.7 24.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 105.345 -2.095 . . . . 0.0 105.345 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.21 -178.81 0.83 Allowed Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 174.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.6 43.74 1.4 Allowed 'Trans proline' 0 CA--C 1.545 1.039 0 C-N-CA 123.975 3.117 . . . . 0.0 111.622 -176.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -146.94 -28.16 0.39 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 128.02 2.528 . . . . 0.0 109.83 -172.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.76 27.49 62.78 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-O 118.875 -0.959 . . . . 0.0 113.218 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -131.28 53.58 1.98 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.894 2.077 . . . . 0.0 107.757 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 tt 55.9 145.36 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 1 C-N-CA 132.178 4.191 . . . . 0.0 115.285 -175.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -91.1 93.79 9.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 173.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -53.35 -35.75 60.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.454 1.102 . . . . 0.0 111.601 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.8 -80.98 0.07 OUTLIER Glycine 0 CA--C 1.525 0.693 0 C-N-CA 126.805 2.145 . . . . 0.0 112.797 166.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.37 -23.23 62.38 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.043 1.421 . . . . 0.0 113.077 -171.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.74 -57.6 10.38 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.547 1.539 . . . . 0.0 110.685 168.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.8 ttm -62.92 -42.82 99.92 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.169 0.988 . . . . 0.0 111.449 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.52 -48.17 82.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -175.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -51.65 -44.17 62.91 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 122.848 0.459 . . . . 0.0 111.009 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.37 -66.06 0.59 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.787 0.835 . . . . 0.0 110.287 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -39.42 72.17 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.149 0.58 . . . . 0.0 110.381 -176.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -50.94 -45.56 60.69 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 126.08 1.752 . . . . 0.0 112.472 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -81.53 -2.71 50.88 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 117.888 -1.053 . . . . 0.0 112.989 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.76 9.32 21.15 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-N 119.429 1.013 . . . . 0.0 113.957 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.51 148.31 49.03 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.475 1.638 . . . . 0.0 111.124 -173.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.61 158.82 34.94 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 172.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.62 -55.0 40.75 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.578 1.551 . . . . 0.0 110.085 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.0 m -59.95 -43.47 94.98 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 123.294 0.638 . . . . 0.0 109.478 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.8 ttt -56.96 -52.14 66.38 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.046 0.938 . . . . 0.0 110.209 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.77 94.27 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 118.791 -0.623 . . . . 0.0 110.123 -176.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -68.19 -33.6 74.74 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.263 175.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.92 -53.54 56.69 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.124 1.37 . . . . 0.0 110.126 175.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.478 HD11 ' HZ3' ' A' ' 127' ' ' TRP . 0.0 OUTLIER -48.45 -49.93 33.35 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.026 0.83 . . . . 0.0 111.174 176.548 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mp -73.93 -33.62 37.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 CA-C-O 117.162 -1.399 . . . . 0.0 110.76 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.09 -40.85 97.13 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 122.855 2.57 . . . . 0.0 112.2 178.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.2 mt -74.61 -47.68 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 124.16 0.984 . . . . 0.0 108.345 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.6 t -61.08 -56.14 19.93 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 123.544 0.738 . . . . 0.0 109.726 177.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -59.39 -30.23 68.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.145 0.978 . . . . 0.0 110.795 -175.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.92 -66.33 2.47 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 171.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 6.8 m -45.42 -36.08 4.1 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 116.42 -1.752 . . . . 0.0 111.713 177.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -47.91 -28.04 2.47 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 122.36 2.345 . . . . 0.0 114.665 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.67 -30.65 2.52 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 124.902 1.281 . . . . 0.0 113.051 176.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.4 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . 42.5 m -52.05 -44.02 64.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.465 1.106 . . . . 0.0 110.703 167.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.9 m -76.34 124.34 88.07 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 123.294 0.638 . . . . 0.0 110.143 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.8 141.02 18.95 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.503 2.802 . . . . 0.0 109.914 166.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.77 166.99 31.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.301 1.441 . . . . 0.0 109.156 171.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.93 169.71 14.25 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 159.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -66.29 -6.76 15.1 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.492 1.117 . . . . 0.0 113.613 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.41 93.46 0.07 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 172.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.68 -32.66 1.57 Allowed 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 127.72 2.408 . . . . 0.0 113.69 169.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 61.0 m -61.02 -53.82 52.49 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.27 1.395 . . . . 0.0 109.018 171.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 7.4 mm -61.33 -51.45 72.9 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 C-N-CA 125.191 1.396 . . . . 0.0 109.125 -175.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -50.75 -57.9 7.21 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 126.132 1.773 . . . . 0.0 111.238 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.0 m -63.25 -32.72 74.2 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.056 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -56.21 22.99 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.304 1.442 . . . . 0.0 109.517 167.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.84 -40.71 99.19 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-O 119.265 -0.742 . . . . 0.0 112.231 -175.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 75.0 t -59.69 -47.47 91.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 125.158 1.383 . . . . 0.0 108.718 175.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.19 98.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 121.38 -0.825 . . . . 0.0 111.059 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.4 m -70.44 -35.71 73.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.236 -0.888 . . . . 0.0 112.267 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.2 p -67.36 -43.95 80.22 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.872 1.669 . . . . 0.0 109.251 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -57.56 -46.49 83.88 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.015 1.326 . . . . 0.0 111.644 176.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -41.48 -59.26 1.64 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.377 1.471 . . . . 0.0 109.802 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.12 -40.49 64.24 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.609 0.764 . . . . 0.0 112.075 -172.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -59.02 -43.11 91.52 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 126.036 1.734 . . . . 0.0 110.945 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.443 HG21 ' CH2' ' A' ' 37' ' ' TRP . 16.3 mm -61.84 -40.59 87.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 123.354 0.662 . . . . 0.0 109.484 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -61.95 -42.85 99.59 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.066 -0.396 . . . . 0.0 110.864 171.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -60.43 -38.53 84.39 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.72 -1.237 . . . . 0.0 111.01 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.5 mt -73.15 -11.63 60.6 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.033 1.333 . . . . 0.0 111.334 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 59.5 t30 72.12 20.22 4.32 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.649 2.38 . . . . 0.0 112.641 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.478 ' HZ3' HD11 ' A' ' 90' ' ' LEU . 42.5 m0 -84.26 16.09 3.21 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.337 1.855 . . . . 0.0 112.206 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.844 0 C-N-CA 126.933 2.093 . . . . 0.0 109.074 -178.529 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -46.39 -48.01 18.69 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 127.778 2.431 . . . . 0.0 112.666 173.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.71 -57.69 7.7 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.328 1.051 . . . . 0.0 111.415 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 p -69.98 -38.15 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 124.0 0.92 . . . . 0.0 111.647 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -44.9 67.33 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.543 0.737 . . . . 0.0 111.034 173.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -62.18 -47.51 84.17 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 124.782 1.233 . . . . 0.0 109.783 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -62.75 -36.46 83.11 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.12 0.968 . . . . 0.0 111.585 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 82' ' ' ALA . 13.0 mt -66.85 -50.64 61.88 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 126.22 1.808 . . . . 0.0 109.867 175.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -57.27 -35.89 70.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.533 1.133 . . . . 0.0 109.988 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.3 tp -69.04 -53.23 21.54 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.806 1.243 . . . . 0.0 108.656 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -66.43 -36.4 82.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.85 -173.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.41 -50.11 74.88 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.984 0.914 . . . . 0.0 108.858 172.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.09 22.36 2.45 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.956 1.265 . . . . 0.0 114.892 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -65.69 -63.02 1.19 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 120.037 1.919 . . . . 0.0 111.468 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.61 26.42 0.05 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.699 1.6 . . . . 0.0 113.767 -174.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -55.14 -54.02 48.58 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 124.759 1.224 . . . . 0.0 111.015 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 20' ' ' LYS . 36.5 t70 -63.26 -39.04 93.47 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.989 0.813 . . . . 0.0 111.97 -176.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.7 -55.16 38.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 175.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -57.51 -38.31 74.41 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.132 0.973 . . . . 0.0 113.002 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 4.5 mtpt -56.26 -50.31 71.7 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.655 1.182 . . . . 0.0 109.81 176.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -73.43 -40.01 64.56 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.622 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.4 -34.49 66.78 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.063 1.745 . . . . 0.0 111.651 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.0 mtm -122.95 -6.57 8.44 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.597 -172.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m 60.91 85.33 0.12 Allowed 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.083 1.753 . . . . 0.0 110.465 -168.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -123.27 142.06 51.33 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -82.59 -176.57 6.32 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.547 0.612 . . . . 0.0 110.876 -171.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -9.25 57.37 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 119.934 -1.729 . . . . 0.0 112.706 176.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -27.92 69.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.486 0.314 . . . . 0.0 111.047 175.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.5 pt -65.3 -27.95 43.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 121.081 -1.012 . . . . 0.0 111.573 170.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -69.87 -40.09 75.92 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.748 1.219 . . . . 0.0 108.063 -176.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.41 -44.52 92.83 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.164 1.386 . . . . 0.0 110.237 169.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -55.85 24.9 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -60.96 -35.21 76.17 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.157 0.983 . . . . 0.0 111.677 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -63.33 -53.41 53.07 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.571 0.749 . . . . 0.0 109.944 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -69.5 -36.49 76.52 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 115.856 -2.021 . . . . 0.0 110.481 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -24.72 -51.35 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.35 1 C-N-CA 131.899 4.08 . . . . 0.0 114.382 -156.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.5 ' CH2' HG21 ' A' ' 122' ' ' ILE . 50.1 m95 -66.72 26.09 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.499 1.52 . . . . 0.0 113.652 171.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -86.77 146.35 26.28 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-O 122.775 1.274 . . . . 0.0 108.85 -176.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.32 102.93 0.1 Allowed 'General case' 0 N--CA 1.433 -1.307 0 C-N-CA 127.482 2.313 . . . . 0.0 107.43 158.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.58 -16.46 49.69 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 117.937 -1.48 . . . . 0.0 116.784 162.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -52.57 145.55 11.54 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 120.147 1.974 . . . . 0.0 109.961 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -111.11 142.47 43.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 123.431 1.586 . . . . 0.0 113.617 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.452 HG22 ' CD1' ' A' ' 112' ' ' LEU . 38.6 mt -121.89 103.86 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 C-N-CA 128.282 2.633 . . . . 0.0 105.049 -170.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -130.99 -10.89 3.79 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.327 0.651 . . . . 0.0 111.842 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.17 107.75 1.66 Allowed 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.613 1.565 . . . . 0.0 110.463 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -54.27 -25.39 23.23 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 121.146 -0.971 . . . . 0.0 112.733 173.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.98 -28.47 67.47 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.997 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.5 p -68.24 -41.11 81.67 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.958 1.254 . . . . 0.0 108.152 171.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.7 -51.73 53.1 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.167 1.365 . . . . 0.0 112.172 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -31.02 70.97 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.698 -0.884 . . . . 0.0 112.023 175.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.31 -52.19 66.69 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.22 0.918 . . . . 0.0 109.928 171.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.2 mt -51.15 -50.59 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 125.738 1.615 . . . . 0.0 108.892 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -43.07 91.62 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.231 0.468 . . . . 0.0 111.304 -177.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.2 -45.92 91.22 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.83 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.6 mt -54.86 -52.02 64.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.684 1.129 . . . . 0.0 108.946 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.4 m -50.42 -56.55 10.97 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.895 0.878 . . . . 0.0 111.911 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -44.4 90.81 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.681 1.128 . . . . 0.0 110.766 -177.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -64.6 -8.62 14.88 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.45 1.5 . . . . 0.0 113.314 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.4 mt -112.59 17.59 19.06 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.581 1.552 . . . . 0.0 110.24 175.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 53.18 49.43 19.96 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 127.712 2.405 . . . . 0.0 111.304 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.0 mtm -110.25 3.57 20.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 117.772 -1.108 . . . . 0.0 113.35 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.0 mt -108.43 112.37 24.75 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 170.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.9 175.96 0.5 Allowed Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 125.941 1.696 . . . . 0.0 110.895 177.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -53.57 -25.44 32.89 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.956 2.437 . . . . 0.0 115.481 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.81 -25.41 24.6 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.591 1.087 . . . . 0.0 108.85 -178.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.99 32.03 15.72 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 126.874 2.178 . . . . 0.0 111.327 -169.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -95.26 169.79 9.84 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.057 1.343 . . . . 0.0 107.44 161.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tt -76.21 125.91 30.02 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 121.665 -0.647 . . . . 0.0 109.579 -177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -79.28 91.0 4.97 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.855 0.862 . . . . 0.0 109.813 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -59.57 -36.67 76.67 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -174.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.01 -60.35 8.18 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 174.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -58.99 -37.79 77.64 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.098 0.959 . . . . 0.0 111.454 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.25 -54.45 44.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.959 1.304 . . . . 0.0 110.731 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.6 ttm -61.33 -39.47 90.66 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.636 1.175 . . . . 0.0 111.758 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -56.59 -35.71 68.54 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.842 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.97 -36.23 81.72 Favored 'General case' 0 CA--C 1.523 -0.075 0 C-N-CA 123.812 0.845 . . . . 0.0 109.89 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.07 -56.08 17.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.66 9.9 0.58 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.116 1.367 . . . . 0.0 112.94 171.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -93.21 -26.74 17.24 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.375 -1.453 . . . . 0.0 111.098 168.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -105.35 -9.33 17.66 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.283 1.433 . . . . 0.0 112.788 -175.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.53 20.93 33.19 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-O 118.879 -0.956 . . . . 0.0 113.527 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB2' HD11 ' A' ' 8' ' ' LEU . . . -61.63 153.27 28.42 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 119.56 1.68 . . . . 0.0 108.194 170.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.63 164.0 25.01 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -74.77 -45.65 42.31 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.207 -0.933 . . . . 0.0 110.062 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.0 m -60.85 -40.16 91.84 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.603 0.638 . . . . 0.0 110.296 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.0 ttt -57.74 -51.35 69.92 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.23 -32.03 72.8 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.9 -56.88 16.24 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 172.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -54.56 -44.94 73.37 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 125.267 1.427 . . . . 0.0 111.771 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.59 -13.53 22.63 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 117.555 -1.212 . . . . 0.0 112.618 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -102.17 -42.91 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-O 116.332 -1.794 . . . . 0.0 111.305 165.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -53.48 -48.53 68.83 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 121.666 2.03 . . . . 0.0 110.291 -177.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.39 -45.89 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 O-C-N 124.939 1.399 . . . . 0.0 108.323 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 79.5 t -67.81 -55.54 16.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 C-N-CA 125.519 1.528 . . . . 0.0 110.187 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -55.31 -41.4 72.34 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.72 1.208 . . . . 0.0 108.824 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -74.99 7.32 22.35 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 128.634 3.016 . . . . 0.0 113.912 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.6 m -120.93 -30.47 4.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.936 1.695 . . . . 0.0 110.59 165.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.87 -28.41 6.49 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 121.962 2.164 . . . . 0.0 113.975 -176.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.1 -47.93 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 m -51.76 -39.07 57.9 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 127.604 2.362 . . . . 0.0 114.295 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.4 m -74.17 114.78 36.5 Favored Pre-proline 0 N--CA 1.445 -0.701 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.13 129.06 16.58 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.071 1.847 . . . . 0.0 108.124 174.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -156.27 164.53 38.21 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.334 1.454 . . . . 0.0 108.786 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.432 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 77.3 m-20 -64.23 179.85 0.52 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.745 1.618 . . . . 0.0 113.344 177.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.85 -38.54 2.2 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 128.143 2.577 . . . . 0.0 112.576 147.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.432 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 48.8 t0 -66.82 90.24 0.17 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 124.401 1.08 . . . . 0.0 109.925 -167.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.505 ' HD3' ' CE3' ' A' ' 110' ' ' TRP . 9.5 mmtp -56.69 -20.73 23.21 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.525 -1.359 . . . . 0.0 112.844 -173.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 59.0 m -61.36 -56.04 24.77 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.87 0.759 . . . . 0.0 110.53 167.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.7 mm -56.17 -51.48 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.175 1.39 . . . . 0.0 108.576 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.505 ' CE3' ' HD3' ' A' ' 107' ' ' LYS . 33.0 t90 -52.43 -56.26 16.24 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 125.762 1.625 . . . . 0.0 111.598 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.7 m -66.05 -34.88 79.09 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.811 0.732 . . . . 0.0 111.595 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.452 ' CD1' HG22 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -52.27 -52.92 49.99 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 167.631 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.93 -38.89 93.16 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-O 118.333 -1.26 . . . . 0.0 113.23 -171.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.08 -42.9 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 124.61 1.164 . . . . 0.0 108.758 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.11 79.3 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.925 175.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 56.0 m -64.63 -46.17 83.68 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 121.11 1.777 . . . . 0.0 112.676 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.8 p -63.32 -52.18 62.93 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 118.638 0.654 . . . . 0.0 109.586 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.403 ' CE1' HD11 ' A' ' 122' ' ' ILE . 50.4 t80 -50.34 -49.51 53.75 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.776 1.23 . . . . 0.0 110.991 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -51.12 -52.85 39.87 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.168 0.987 . . . . 0.0 110.954 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.68 -41.05 55.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.191 0.45 . . . . 0.0 111.213 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.1 -41.18 95.21 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 117.867 -1.063 . . . . 0.0 110.946 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.5 HG21 ' CH2' ' A' ' 37' ' ' TRP . 11.9 mm -59.01 -45.95 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 120.316 1.416 . . . . 0.0 109.573 177.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -59.35 -49.54 77.43 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 119.106 -0.473 . . . . 0.0 110.921 174.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -55.32 -44.55 75.95 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.553 1.07 . . . . 0.0 110.874 174.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 27.7 mt -64.96 -7.67 12.59 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 126.893 2.077 . . . . 0.0 112.009 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.5 t30 56.09 37.75 29.17 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.94 1.696 . . . . 0.0 111.045 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -92.89 13.53 20.22 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.728 2.411 . . . . 0.0 112.177 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.321 0 C-N-CA 131.452 3.901 . . . . 0.0 108.006 -158.478 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.91 -39.74 82.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 120.116 1.325 . . . . 0.0 112.259 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -52.96 -47.83 67.83 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.788 1.235 . . . . 0.0 110.077 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.442 HG12 ' CD1' ' A' ' 8' ' ' LEU . 55.2 t -65.33 -53.42 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 124.522 1.129 . . . . 0.0 109.334 174.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.3 tpt -56.56 -37.2 70.22 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 119.839 -1.788 . . . . 0.0 111.389 -173.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -36.77 72.31 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.357 175.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -57.62 -36.87 72.38 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.422 1.089 . . . . 0.0 112.032 169.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.442 ' CD1' HG12 ' A' ' 4' ' ' VAL . 4.9 mp -64.19 -49.3 72.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -31.58 70.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.49 1.116 . . . . 0.0 111.055 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 tp -67.24 -37.2 83.16 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.873 1.269 . . . . 0.0 109.068 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -95.29 -28.36 15.03 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.011 -170.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.44 -52.39 65.41 Favored 'General case' 0 N--CA 1.442 -0.846 0 O-C-N 121.807 -0.558 . . . . 0.0 109.547 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.48 21.49 17.53 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 117.542 -1.699 . . . . 0.0 114.469 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -49.0 -51.66 29.38 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 121.134 2.467 . . . . 0.0 110.494 173.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.33 16.43 2.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.977 1.311 . . . . 0.0 112.855 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -56.25 13.86 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 119.952 1.251 . . . . 0.0 110.373 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -25.64 59.45 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 118.95 -1.1 . . . . 0.0 109.889 -169.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.82 -59.29 5.36 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 172.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.68 -23.08 39.4 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.547 1.539 . . . . 0.0 112.814 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HG3' HD11 ' A' ' 29' ' ' ILE . 10.8 mtpp -66.6 -60.08 3.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 121.208 -0.932 . . . . 0.0 109.897 168.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -64.27 -32.81 74.55 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.311 0.959 . . . . 0.0 111.553 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.11 -30.4 59.64 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 124.897 1.279 . . . . 0.0 113.688 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.7 mtm -126.96 1.42 6.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.476 1.11 . . . . 0.0 113.103 -170.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.4 m 43.18 83.97 0.02 OUTLIER 'General case' 0 C--O 1.242 0.671 0 C-N-CA 125.733 1.613 . . . . 0.0 111.414 -157.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.4 mt -112.7 151.91 29.67 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.176 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.7 p -81.08 173.91 12.11 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.593 1.557 . . . . 0.0 111.645 -168.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -92.17 -6.28 50.99 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.38 -1.45 . . . . 0.0 111.315 172.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.69 -26.55 65.67 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.759 0.824 . . . . 0.0 111.513 165.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.587 ' HB ' HG22 ' A' ' 48' ' ' THR . 2.5 pt -75.83 -32.48 23.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 CA-C-N 119.01 0.823 . . . . 0.0 110.741 173.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -35.82 63.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.238 166.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.72 -11.69 60.23 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 174.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -78.6 -72.13 0.39 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.771 1.229 . . . . 0.0 108.007 162.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -44.44 -44.19 8.27 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.029 1.732 . . . . 0.0 112.555 -173.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -58.05 -54.41 47.24 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.123 1.769 . . . . 0.0 112.337 175.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -94.21 8.67 40.89 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.993 2.117 . . . . 0.0 112.135 -172.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -54.06 -29.4 43.96 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.208 1.403 . . . . 0.0 112.105 -173.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -106.2 24.85 11.8 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.173 2.189 . . . . 0.0 114.455 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -65.98 162.47 19.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 120.502 -1.374 . . . . 0.0 110.467 168.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.2 24.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.984 2.514 . . . . 0.0 116.946 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 169.01 15.17 0.02 OUTLIER Glycine 0 N--CA 1.464 0.516 0 O-C-N 121.01 -1.056 . . . . 0.0 113.612 173.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -71.35 126.83 30.67 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 117.301 0.55 . . . . 0.0 111.891 -170.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -101.11 158.04 16.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.139 0.976 . . . . 0.0 112.633 163.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.419 HG22 ' CD1' ' A' ' 112' ' ' LEU . 47.4 mt -129.12 110.47 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 129.037 2.935 . . . . 0.0 105.872 -157.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 11.7 mmpt? -122.89 -18.36 6.49 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -171.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.468 ' HB2' HG23 ' A' ' 48' ' ' THR . 7.3 m120 -78.38 110.75 13.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 120.402 1.455 . . . . 0.0 109.507 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -21.79 47.95 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 120.452 -1.405 . . . . 0.0 112.121 169.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -57.43 -33.07 67.53 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.023 172.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.587 HG22 ' HB ' ' A' ' 29' ' ' ILE . 6.2 p -70.96 -42.0 70.32 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 120.459 1.481 . . . . 0.0 109.08 177.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.8 -50.23 32.5 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.267 1.413 . . . . 0.0 111.282 171.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -30.62 67.07 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 118.123 -0.941 . . . . 0.0 113.396 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.58 -52.73 64.21 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 120.329 1.422 . . . . 0.0 108.753 167.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.425 HD13 ' HB2' ' A' ' 115' ' ' ALA . 41.8 mt -50.02 -45.36 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-N 119.624 1.102 . . . . 0.0 109.936 -176.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.1 ttp -61.63 -48.79 79.28 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.729 0.695 . . . . 0.0 111.639 174.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.9 t -56.01 -57.21 13.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.446 1.098 . . . . 0.0 112.167 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -49.58 -46.73 49.39 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.181 1.392 . . . . 0.0 111.817 172.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.1 m -53.11 -53.34 51.85 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.008 0.822 . . . . 0.0 111.222 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -50.1 -52.66 33.06 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.178 0.899 . . . . 0.0 110.771 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -63.93 -14.62 55.08 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -171.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -104.39 10.03 35.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 119.232 0.923 . . . . 0.0 111.583 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t30 58.47 36.36 25.27 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.922 1.689 . . . . 0.0 110.338 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 34.3 mtp -89.33 -6.44 56.69 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.789 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 mt -103.72 142.43 34.36 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 171.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -83.58 -177.98 1.08 Allowed Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 126.137 1.775 . . . . 0.0 110.698 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -83.62 41.87 1.14 Allowed 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 121.28 1.32 . . . . 0.0 111.247 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -150.67 -31.93 0.18 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.303 2.241 . . . . 0.0 108.919 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.68 -0.99 8.0 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 126.469 1.985 . . . . 0.0 113.117 173.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -77.09 165.43 24.6 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.204 1.502 . . . . 0.0 109.428 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.0 tp -57.87 123.5 15.99 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 166.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -84.51 92.74 8.17 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.739 1.216 . . . . 0.0 109.658 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -50.42 -34.59 25.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -172.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.17 -72.25 0.67 Allowed Glycine 0 C--N 1.339 0.7 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -45.82 -41.69 11.35 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.077 1.351 . . . . 0.0 113.711 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.15 -50.37 61.88 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.454 0.702 . . . . 0.0 110.738 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 16.5 ttm -74.5 -30.82 61.96 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.925 1.29 . . . . 0.0 112.166 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -58.12 -52.16 66.7 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 173.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -49.17 -46.48 45.48 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 126.747 2.019 . . . . 0.0 109.136 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HB1' ' HB2' ' A' ' 87' ' ' ALA . . . -60.25 -65.15 0.73 Allowed 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 122.757 0.423 . . . . 0.0 110.427 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -56.44 -38.24 71.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.212 1.005 . . . . 0.0 109.736 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -53.71 -57.85 9.32 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 127.0 2.12 . . . . 0.0 111.789 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -74.35 -3.56 31.09 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.681 -0.676 . . . . 0.0 112.153 -171.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.06 4.62 12.31 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 127.025 2.25 . . . . 0.0 113.229 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.9 156.55 34.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 119.58 1.69 . . . . 0.0 112.056 -167.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.77 162.41 18.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 113.32 -1.764 . . . . 0.0 108.137 -176.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.4 -59.24 5.57 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.238 1.815 . . . . 0.0 111.268 -175.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.4 m -69.55 -30.97 68.9 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.691 -0.631 . . . . 0.0 110.489 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.425 ' O ' HD22 ' A' ' 90' ' ' LEU . 8.1 ttt -55.7 -59.49 4.78 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 170.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.409 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . . . -61.73 -33.17 73.56 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.085 -174.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -62.7 -46.9 85.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.872 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -49.62 -60.29 3.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.343 174.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.425 HD22 ' O ' ' A' ' 86' ' ' MET . 2.9 mm? -50.94 -47.09 61.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 120.026 1.285 . . . . 0.0 112.998 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.19 -39.11 80.68 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 118.744 -1.182 . . . . 0.0 109.713 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -60.31 -43.75 96.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 120.345 1.429 . . . . 0.0 110.693 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.422 HG21 ' HG2' ' A' ' 121' ' ' GLU . 3.3 mt -70.61 -47.58 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 118.625 0.648 . . . . 0.0 109.74 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.7 t -59.85 -60.79 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -56.53 -33.7 66.32 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.401 1.08 . . . . 0.0 109.357 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.42 -67.65 2.02 Favored Glycine 0 C--N 1.338 0.689 0 C-N-CA 126.353 1.93 . . . . 0.0 111.375 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.8 m -48.88 -36.16 16.42 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.024 1.729 . . . . 0.0 110.376 175.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.58 -13.0 2.05 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 121.643 2.02 . . . . 0.0 113.424 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.93 -43.04 2.36 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.293 1.406 . . . . 0.0 111.711 166.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 m -53.25 -38.25 62.82 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.958 1.303 . . . . 0.0 112.29 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -75.11 120.4 81.45 Favored Pre-proline 0 N--CA 1.447 -0.578 0 CA-C-N 118.577 0.626 . . . . 0.0 109.477 174.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -81.17 145.75 15.48 Favored 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 122.957 2.438 . . . . 0.0 108.879 170.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.07 164.3 38.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.755 0.822 . . . . 0.0 109.113 168.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.9 169.92 1.74 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.729 151.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -57.65 -9.32 1.13 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.232 2.213 . . . . 0.0 113.343 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.59 94.98 0.07 Allowed 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.957 -1.089 . . . . 0.0 108.155 173.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.542 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -54.75 -29.84 54.88 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.998 -1.064 . . . . 0.0 110.955 178.274 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.47 -57.02 13.83 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.18 -50.37 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.931 1.292 . . . . 0.0 109.188 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.542 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 35.9 t90 -51.5 -61.47 2.22 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 125.687 1.595 . . . . 0.0 111.083 178.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 m -62.58 -34.47 77.04 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.154 0.582 . . . . 0.0 111.503 -175.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.419 ' CD1' HG22 ' A' ' 43' ' ' ILE . 1.1 tp -57.89 -51.92 67.63 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.209 1.404 . . . . 0.0 109.351 169.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.36 -41.3 98.41 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.08 -0.844 . . . . 0.0 111.25 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.32 -51.42 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 124.094 0.958 . . . . 0.0 108.836 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -61.93 -31.24 71.55 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 118.813 -0.613 . . . . 0.0 111.406 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.4 m -68.88 -48.5 63.24 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.499 1.045 . . . . 0.0 111.378 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.9 p -67.33 -42.46 83.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.878 0.763 . . . . 0.0 110.515 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -58.41 -55.44 34.94 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.825 1.25 . . . . 0.0 110.729 176.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -43.15 -58.74 2.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.579 1.551 . . . . 0.0 109.634 175.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.53 -21.91 29.43 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -175.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.422 ' HG2' HG21 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -75.79 -44.99 38.6 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.168 1.387 . . . . 0.0 109.518 178.423 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 26.1 mm -59.02 -37.38 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 125.98 1.712 . . . . 0.0 108.08 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -59.6 -50.83 72.35 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.8 1.24 . . . . 0.0 112.64 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -48.83 -54.97 13.02 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 121.154 1.797 . . . . 0.0 110.826 172.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.91 -3.05 14.23 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.692 1.197 . . . . 0.0 113.397 -176.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.0 t30 56.95 22.81 7.57 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.877 2.071 . . . . 0.0 112.868 -178.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 50.8 m0 -73.25 12.0 0.65 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.161 1.385 . . . . 0.0 111.882 172.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.582 1.953 . . . . 0.0 107.052 176.229 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -66.18 -34.5 78.16 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-O 117.682 -1.151 . . . . 0.0 112.411 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -49.4 -50.35 40.79 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.001 1.381 . . . . 0.0 109.807 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.28 -39.02 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.533 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -46.42 74.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.926 0.89 . . . . 0.0 109.986 176.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -60.96 -46.3 91.25 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 117.706 -1.14 . . . . 0.0 110.966 175.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -66.27 -33.81 76.59 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.684 1.129 . . . . 0.0 112.607 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.82 -52.94 62.13 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 173.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -65.34 -0.35 1.8 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.167 1.387 . . . . 0.0 112.718 175.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 tp -101.27 -57.54 2.07 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.776 1.23 . . . . 0.0 109.037 174.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -63.94 -27.79 69.38 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.341 1.456 . . . . 0.0 112.294 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -57.56 -52.94 63.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 168.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.97 27.12 2.71 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.649 1.595 . . . . 0.0 114.201 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -67.02 -65.27 0.7 Allowed 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 119.637 1.719 . . . . 0.0 110.452 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.61 44.92 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.14 0.976 . . . . 0.0 110.939 -175.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -69.53 -55.57 9.81 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.042 -1.037 . . . . 0.0 110.06 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -68.54 -26.67 65.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.196 0.907 . . . . 0.0 111.114 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.96 -72.34 0.07 Allowed 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 124.441 1.096 . . . . 0.0 108.283 164.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.3 m -55.63 -26.84 46.44 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.806 1.242 . . . . 0.0 113.882 -177.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -62.95 -49.44 74.73 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.865 1.266 . . . . 0.0 109.922 170.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -72.63 -34.2 67.17 Favored 'General case' 0 N--CA 1.424 -1.734 0 C-N-CA 125.813 1.645 . . . . 0.0 109.93 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.41 -43.58 92.98 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 120.809 1.64 . . . . 0.0 110.531 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.8 mtm -121.17 7.18 10.24 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -167.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m 47.52 77.66 0.09 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.99 1.716 . . . . 0.0 110.309 -171.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.5 mt -114.9 140.15 49.21 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 106.201 -1.777 . . . . 0.0 106.201 176.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.1 p -82.21 -177.19 6.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.22 1.01 . . . . 0.0 110.939 -161.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -19.76 61.25 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 118.186 -0.911 . . . . 0.0 112.503 171.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.25 -24.74 67.77 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.046 1.294 . . . . 0.0 112.079 -171.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.0 pt -68.25 -24.52 29.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-O 118.335 -0.841 . . . . 0.0 111.455 174.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -66.9 -27.65 67.67 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 120.314 1.416 . . . . 0.0 108.634 172.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.0 -40.36 62.99 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 120.61 1.55 . . . . 0.0 109.964 171.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -65.81 -42.53 90.53 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 118.85 0.75 . . . . 0.0 110.105 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.96 -32.36 61.7 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.193 1.397 . . . . 0.0 112.67 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -62.44 1.54 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 170.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -70.39 -3.39 17.28 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 116.373 -1.775 . . . . 0.0 112.159 -176.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -43.62 -61.93 1.25 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 121.698 2.044 . . . . 0.0 110.518 -170.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.416 ' CH2' HG21 ' A' ' 122' ' ' ILE . 49.6 m95 -72.52 17.06 0.12 Allowed 'General case' 0 C--O 1.239 0.545 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -56.49 161.56 2.6 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 120.821 1.646 . . . . 0.0 109.111 167.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -58.87 111.67 1.37 Allowed 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 113.197 -1.82 . . . . 0.0 107.549 152.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.4 -6.96 62.39 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-O 117.254 -1.859 . . . . 0.0 117.077 159.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -50.41 132.12 24.75 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 120.77 2.285 . . . . 0.0 112.917 -171.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -102.49 141.17 35.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-O 122.729 1.252 . . . . 0.0 111.697 170.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.8 mt -113.24 120.17 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 -172.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.32 -16.54 7.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 118.887 -0.578 . . . . 0.0 111.802 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -59.95 105.15 0.36 Allowed 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -53.64 -25.52 18.19 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 123.239 0.616 . . . . 0.0 111.232 164.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.12 -32.83 68.49 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.32 1.048 . . . . 0.0 110.379 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.6 p -67.0 -46.76 73.55 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.16 -55.34 16.0 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 125.18 1.372 . . . . 0.0 110.662 174.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -40.69 93.24 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 122.13 -0.63 . . . . 0.0 111.951 177.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.86 -57.19 14.15 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.073 0.851 . . . . 0.0 109.699 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.0 mt -48.41 -45.73 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 126.889 2.076 . . . . 0.0 109.816 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 41.5 ttp -57.72 -53.94 52.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.423 0.689 . . . . 0.0 110.147 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.1 t -60.52 -38.84 85.69 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.196 0.599 . . . . 0.0 111.821 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.44 -52.24 66.06 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 176.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.83 -48.53 50.89 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.993 1.317 . . . . 0.0 109.901 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.431 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 2.6 m -51.86 -56.17 15.67 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -67.4 -16.75 64.41 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.292 1.437 . . . . 0.0 114.059 -170.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.37 6.64 19.27 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 120.55 1.523 . . . . 0.0 111.476 169.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t30 63.08 24.21 14.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.865 2.066 . . . . 0.0 111.356 -170.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 56.2 mtm -80.96 -5.29 57.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.947 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 57' ' ' THR . 1.9 mp -112.48 121.77 45.79 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -175.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.62 175.68 0.23 Allowed Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 128.85 2.86 . . . . 0.0 111.897 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.81 43.61 1.39 Allowed 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 124.018 3.145 . . . . 0.0 110.876 178.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -152.35 -54.76 0.13 Allowed 'General case' 0 N--CA 1.45 -0.463 1 C-N-CA 131.729 4.012 . . . . 0.0 106.832 -170.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.53 0.27 11.16 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 125.546 1.546 . . . . 0.0 112.929 -168.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -69.14 161.2 29.62 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.796 1.798 . . . . 0.0 110.72 173.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -70.77 109.29 4.88 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 175.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -78.59 96.15 5.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.168 1.387 . . . . 0.0 108.991 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -44.95 -54.17 6.83 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 126.63 1.972 . . . . 0.0 112.155 -177.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.89 -64.21 4.33 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 123.706 0.669 . . . . 0.0 111.851 -176.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -36.45 83.99 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 123.235 0.614 . . . . 0.0 112.365 -176.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.63 -47.16 77.08 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.163 0.585 . . . . 0.0 111.133 171.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ttm -69.43 -40.53 77.18 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.261 0.482 . . . . 0.0 111.289 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.83 -45.57 89.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 118.163 0.438 . . . . 0.0 109.864 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -53.36 -46.12 69.43 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.471 0.708 . . . . 0.0 110.305 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.09 -63.18 1.4 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.263 0.625 . . . . 0.0 111.094 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -55.46 -45.2 76.9 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 123.526 0.73 . . . . 0.0 110.214 -172.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -45.84 -49.06 15.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.77 1.628 . . . . 0.0 111.972 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -70.76 -11.77 61.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.631 -175.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.48 6.1 20.16 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.167 1.365 . . . . 0.0 112.2 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.95 152.22 46.15 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 119.068 1.434 . . . . 0.0 110.354 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.64 159.38 33.55 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 125.002 1.321 . . . . 0.0 109.346 170.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -59.85 -50.8 72.38 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 124.888 1.275 . . . . 0.0 111.572 169.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.5 m -61.46 -47.08 87.31 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.9 ttp -54.7 -55.2 32.38 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.74 70.39 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.852 -1.155 . . . . 0.0 112.577 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -54.33 31.24 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 117.938 -1.03 . . . . 0.0 108.613 172.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -48.66 -55.96 9.85 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.702 1.601 . . . . 0.0 110.989 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 mp -46.17 -54.35 8.84 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.05 1.34 . . . . 0.0 111.27 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.09 -37.57 72.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.43 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.22 -33.97 77.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 120.766 1.621 . . . . 0.0 111.67 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.407 HD13 ' CD ' ' A' ' 121' ' ' GLU . 23.8 mt -81.02 -52.53 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 C-N-CA 124.782 1.233 . . . . 0.0 109.006 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.0 t -56.72 -55.7 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 119.246 0.93 . . . . 0.0 108.558 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -59.28 -36.21 75.16 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.034 -1.041 . . . . 0.0 110.498 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.36 22.48 7.28 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 128.596 2.998 . . . . 0.0 113.578 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.7 m -130.17 -50.07 1.1 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 128.017 2.527 . . . . 0.0 105.927 168.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.64 -30.01 0.34 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 121.367 1.894 . . . . 0.0 115.023 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.36 -26.66 4.22 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.683 1.129 . . . . 0.0 112.818 171.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -35.37 79.97 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.177 0.898 . . . . 0.0 111.0 -178.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 m -63.95 122.82 79.45 Favored Pre-proline 0 N--CA 1.44 -0.97 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 173.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.72 145.45 32.63 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.91 1.74 . . . . 0.0 108.274 163.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -158.05 173.09 17.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 122.881 0.473 . . . . 0.0 110.398 177.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -63.66 173.94 1.54 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 162.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -69.64 -5.8 27.1 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.95 0.9 . . . . 0.0 112.587 158.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -64.82 100.26 0.39 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 167.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -33.55 9.47 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.837 1.655 . . . . 0.0 113.193 173.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 39.5 m -66.34 -46.55 76.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.003 0.82 . . . . 0.0 110.151 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.1 mm -63.9 -47.78 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.2 1.0 . . . . 0.0 108.559 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 34.3 t90 -48.56 -65.87 0.5 Allowed 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 125.904 1.681 . . . . 0.0 111.628 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 92.3 m -63.66 -23.93 67.58 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 118.846 -1.142 . . . . 0.0 111.617 -175.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -56.81 17.25 Favored 'General case' 0 C--N 1.343 0.314 0 O-C-N 120.774 -1.204 . . . . 0.0 109.843 171.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.61 96.39 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-O 119.279 -0.734 . . . . 0.0 111.417 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 38.0 t -56.72 -55.99 16.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 124.739 1.216 . . . . 0.0 107.965 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.94 -32.55 73.06 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 121.348 -0.845 . . . . 0.0 111.418 -177.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.4 m -74.0 -14.12 60.97 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.834 1.197 . . . . 0.0 112.209 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.6 p -83.87 -44.92 13.8 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.758 1.617 . . . . 0.0 110.919 161.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -58.16 -14.85 7.8 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 171.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -73.77 -63.01 1.3 Allowed 'General case' 0 C--O 1.224 -0.248 0 O-C-N 118.75 -2.469 . . . . 0.0 108.382 170.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.45 -43.95 68.5 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 124.555 1.142 . . . . 0.0 112.194 -166.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.407 ' CD ' HD13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -53.53 -41.88 66.86 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.084 1.354 . . . . 0.0 112.242 179.488 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.416 HG21 ' CH2' ' A' ' 37' ' ' TRP . 27.5 mm -64.13 -47.11 91.53 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -175.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -57.5 -43.27 84.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.07 0.548 . . . . 0.0 111.678 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.02 -49.5 77.66 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 120.036 1.289 . . . . 0.0 111.614 172.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.42 -2.95 2.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.653 1.181 . . . . 0.0 112.369 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 65.5 t30 51.89 36.22 17.67 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 126.562 1.945 . . . . 0.0 111.372 -174.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -87.65 2.45 50.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.722 1.609 . . . . 0.0 113.524 -170.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-N 119.598 1.09 . . . . 0.0 111.709 171.968 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 120.47 0.176 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -56.72 -38.03 71.77 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.471 1.108 . . . . 0.0 111.965 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -52.22 -49.92 63.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.683 1.193 . . . . 0.0 112.198 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -73.3 -50.17 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.7 tpt -47.68 -52.36 18.53 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 125.789 1.636 . . . . 0.0 112.256 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.31 -55.85 18.74 Favored 'General case' 0 C--O 1.231 0.093 0 C-N-CA 125.635 1.574 . . . . 0.0 109.68 174.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -64.54 -34.72 78.9 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -175.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.59 -58.83 6.84 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.43 16.23 0.11 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.078 1.751 . . . . 0.0 112.816 -178.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 tt -119.54 -55.23 2.13 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 127.445 2.298 . . . . 0.0 107.59 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -53.7 -46.4 70.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 125.547 1.539 . . . . 0.0 110.82 171.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -46.7 -41.75 15.53 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.721 1.208 . . . . 0.0 111.413 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.16 10.4 73.2 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 118.08 -1.4 . . . . 0.0 114.986 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -63.78 1.18 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.265 2.033 . . . . 0.0 111.263 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.49 27.05 0.16 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.968 1.307 . . . . 0.0 112.182 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.486 ' HA ' HD21 ' A' ' 55' ' ' LEU . 19.9 tp -57.46 -56.69 18.61 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 124.65 1.18 . . . . 0.0 109.646 175.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.55 -32.89 74.48 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.634 0.774 . . . . 0.0 111.912 -171.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -59.46 -64.53 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.198 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -53.15 -34.66 57.8 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.474 1.11 . . . . 0.0 112.838 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HB3' ' HE2' ' A' ' 20' ' ' LYS . 28.9 mtpt -56.1 -61.43 2.39 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.824 172.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -34.76 78.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.599 1.09 . . . . 0.0 110.898 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.58 -33.9 70.48 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.3 0.954 . . . . 0.0 112.823 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.0 mtm -118.28 3.26 11.96 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.825 0.85 . . . . 0.0 112.52 -174.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.0 m 49.85 70.04 0.54 Allowed 'General case' 0 C--O 1.24 0.553 0 C-N-CA 125.259 1.424 . . . . 0.0 111.155 -166.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 mt -106.15 164.19 12.19 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 169.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -106.46 177.96 4.7 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.26 -154.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -11.18 45.34 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 121.181 -0.95 . . . . 0.0 112.874 170.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.25 -25.86 67.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.301 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 pt -64.62 -30.2 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 118.504 0.593 . . . . 0.0 111.238 172.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.67 -36.31 82.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -40.99 96.1 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.607 0.763 . . . . 0.0 110.778 173.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -55.62 32.0 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -61.24 -40.19 93.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.849 0.859 . . . . 0.0 111.477 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -62.34 -38.87 91.15 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.18 1.392 . . . . 0.0 112.031 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -98.07 13.45 30.96 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.059 1.344 . . . . 0.0 111.188 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.65 -29.51 70.08 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 119.557 -1.964 . . . . 0.0 111.577 -171.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -102.9 33.88 3.07 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 125.31 1.444 . . . . 0.0 112.58 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -70.23 -171.5 0.46 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.262 1.825 . . . . 0.0 111.66 170.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.77 24.79 10.07 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.575 1.95 . . . . 0.0 114.649 -171.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.77 20.4 0.03 OUTLIER Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.298 1.427 . . . . 0.0 112.78 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -65.53 161.5 20.03 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.431 1.092 . . . . 0.0 109.896 172.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.434 ' OE1' ' HE2' ' A' ' 44' ' ' LYS . 36.8 tt0 -141.02 144.93 35.29 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 126.669 1.988 . . . . 0.0 108.836 170.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.7 mt -113.3 114.02 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 129.355 3.062 . . . . 0.0 105.455 -174.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HE2' ' OE1' ' A' ' 42' ' ' GLU . 51.0 mtmt -138.19 0.05 2.09 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -72.87 122.98 22.5 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 120.871 1.669 . . . . 0.0 109.12 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -54.75 -30.79 57.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.499 -0.751 . . . . 0.0 111.009 168.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.09 -33.73 76.07 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 118.78 -0.628 . . . . 0.0 109.872 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.1 p -71.89 -38.99 69.9 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.088 0.858 . . . . 0.0 109.489 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -54.67 -50.16 58.67 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.21 0.909 . . . . 0.0 112.554 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -32.85 72.73 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 117.305 0.553 . . . . 0.0 111.963 176.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.11 -52.7 64.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 118.958 0.799 . . . . 0.0 109.803 174.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.0 mt -52.53 -49.57 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.836 1.655 . . . . 0.0 109.088 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.6 ttp -62.06 -43.14 99.49 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.891 0.769 . . . . 0.0 112.532 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 23.0 t -65.54 -38.14 88.75 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.64 -0.662 . . . . 0.0 110.632 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 16' ' ' LEU . 92.0 mt -57.49 -53.64 55.85 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 170.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.76 -42.4 35.45 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.38 0.991 . . . . 0.0 112.269 178.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.1 m -56.39 -63.93 1.03 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -63.18 -18.18 63.21 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 126.589 1.956 . . . . 0.0 112.942 -171.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.2 mt -84.95 7.88 19.63 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.609 1.164 . . . . 0.0 111.181 175.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.1 t30 54.55 34.89 22.22 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.092 1.757 . . . . 0.0 110.709 -172.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.8 mtm -95.5 -0.88 51.71 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.632 -0.667 . . . . 0.0 111.729 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp -109.55 110.19 21.2 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -176.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -60.11 174.52 0.47 Allowed Pre-proline 0 C--O 1.238 0.498 0 C-N-CA 127.205 2.202 . . . . 0.0 110.673 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -81.05 40.94 1.06 Allowed 'Trans proline' 0 N--CA 1.458 -0.603 0 CA-C-N 120.542 1.229 . . . . 0.0 110.762 -173.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -146.56 -25.57 0.42 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 128.267 2.627 . . . . 0.0 108.398 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.8 12.48 34.69 Favored Glycine 0 C--N 1.343 0.941 0 C-N-CA 125.885 1.707 . . . . 0.0 113.772 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -136.97 64.08 1.55 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.472 1.636 . . . . 0.0 110.123 -161.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp 60.75 140.27 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 129.8 3.24 . . . . 0.0 113.473 -177.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -116.01 93.37 4.22 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 126.048 1.739 . . . . 0.0 108.229 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -47.2 -41.13 17.6 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.79 0.836 . . . . 0.0 113.048 -172.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -48.79 -76.34 0.16 Allowed Glycine 0 C--N 1.341 0.808 0 C-N-CA 124.49 1.043 . . . . 0.0 111.794 170.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -57.26 -32.77 66.92 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.008 1.404 . . . . 0.0 113.695 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.85 -55.91 26.94 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.946 1.248 . . . . 0.0 111.044 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.3 ttm -65.65 -39.23 91.18 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.299 1.039 . . . . 0.0 109.645 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.03 -56.93 14.83 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.871 1.668 . . . . 0.0 109.761 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.07 -48.35 44.2 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.114 0.966 . . . . 0.0 109.312 -175.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.77 -68.5 0.18 Allowed 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 123.772 0.829 . . . . 0.0 109.887 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -67.38 -16.75 64.42 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.159 1.383 . . . . 0.0 113.568 -170.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -66.77 -58.34 5.27 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 128.472 2.709 . . . . 0.0 109.804 167.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -73.06 -14.63 61.44 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 117.439 -1.267 . . . . 0.0 113.31 -170.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 134.19 5.51 2.67 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.782 1.182 . . . . 0.0 113.619 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.12 147.96 31.17 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 119.054 1.427 . . . . 0.0 111.27 -167.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.31 165.32 23.96 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 113.956 -1.474 . . . . 0.0 109.858 173.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -51.05 28.2 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.04 0.536 . . . . 0.0 110.85 -177.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.7 m -60.52 -41.75 95.02 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.547 0.612 . . . . 0.0 110.086 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.4 ttt -59.07 -44.96 91.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.699 0.8 . . . . 0.0 109.923 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.35 -37.31 83.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.284 -0.865 . . . . 0.0 111.561 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -55.55 33.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -51.95 -46.41 64.75 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.646 1.578 . . . . 0.0 111.321 175.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.53 -16.81 27.34 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 117.64 -1.171 . . . . 0.0 113.322 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -107.41 -35.99 3.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 117.548 -1.215 . . . . 0.0 111.092 172.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.22 -34.7 78.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 121.174 1.806 . . . . 0.0 111.421 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.79 -48.37 51.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.5 t -62.59 -66.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.932 1.293 . . . . 0.0 110.076 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -57.16 -27.26 61.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.735 1.614 . . . . 0.0 110.693 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.39 -62.61 4.72 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 173.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.8 m -58.9 -31.42 68.6 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.854 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -55.01 -12.25 0.81 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.16 1.345 . . . . 0.0 113.509 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -121.25 -47.35 2.26 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.367 1.867 . . . . 0.0 109.689 173.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 m -60.48 -47.99 83.73 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.006 1.722 . . . . 0.0 113.771 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.1 m -62.37 126.77 88.7 Favored Pre-proline 0 C--O 1.238 0.455 0 C-N-CA 124.197 0.999 . . . . 0.0 110.044 -172.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.9 129.33 14.19 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 122.478 2.119 . . . . 0.0 108.391 167.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.98 -177.24 5.12 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.994 1.718 . . . . 0.0 107.672 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.293 0.7 OUTLIER -109.12 171.7 7.28 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 163.268 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -52.81 -14.16 0.51 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.948 1.699 . . . . 0.0 113.504 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -68.04 94.26 0.48 Allowed 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.558 1.543 . . . . 0.0 110.291 172.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.421 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 5.7 mmpt? -54.66 -23.83 19.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.501 0.72 . . . . 0.0 112.705 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 62.7 m -59.24 -56.64 19.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.738 0.699 . . . . 0.0 110.081 169.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -41.22 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 124.583 1.153 . . . . 0.0 109.744 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.421 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 33.4 t90 -50.47 -62.07 1.81 Allowed 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 124.409 1.083 . . . . 0.0 111.088 172.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.9 m -63.26 -32.14 73.47 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.127 0.421 . . . . 0.0 111.742 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.43 -48.15 72.02 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.05 -1.031 . . . . 0.0 109.959 167.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.47 -46.23 86.43 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.085 -0.842 . . . . 0.0 111.544 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.53 -47.85 90.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.173 0.989 . . . . 0.0 109.73 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.29 -32.81 74.65 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.793 -1.192 . . . . 0.0 111.181 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.7 m -71.8 -45.54 61.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.394 -0.812 . . . . 0.0 112.117 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 21.4 p -62.0 -42.62 99.35 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.117 1.326 . . . . 0.0 109.0 176.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.585 ' CZ ' HD11 ' A' ' 122' ' ' ILE . 24.1 t80 -58.25 -47.9 82.12 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.6 1.16 . . . . 0.0 111.063 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -49.33 -50.79 38.09 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.99 0.916 . . . . 0.0 111.259 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.53 -38.39 59.61 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.22 0.464 . . . . 0.0 112.148 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -62.45 -42.55 99.54 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 118.911 0.778 . . . . 0.0 110.123 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.585 HD11 ' CZ ' ' A' ' 118' ' ' PHE . 7.6 mm -59.11 -37.25 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.476 1.51 . . . . 0.0 109.722 -177.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -62.93 -52.87 61.39 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.163 0.585 . . . . 0.0 110.363 172.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -45.78 88.88 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.044 -1.035 . . . . 0.0 112.208 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.22 -10.36 15.22 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.377 1.871 . . . . 0.0 112.083 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.3 t30 62.2 34.98 15.78 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.386 1.474 . . . . 0.0 111.167 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -89.18 19.19 4.43 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.402 1.881 . . . . 0.0 112.383 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 C-N-CA 124.939 1.295 . . . . 0.0 110.174 171.749 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 119.76 -0.162 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -52.66 -28.77 22.98 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.059 1.744 . . . . 0.0 114.399 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -48.83 -69.8 0.11 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.094 1.358 . . . . 0.0 109.074 172.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.8 p -65.97 -37.16 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 C-N-CA 123.906 0.882 . . . . 0.0 111.967 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -46.32 70.65 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.442 0.297 . . . . 0.0 110.682 -176.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -60.96 -48.92 79.57 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 121.35 -0.844 . . . . 0.0 110.772 173.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -62.66 -34.69 77.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -173.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.23 -56.03 27.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.282 1.433 . . . . 0.0 108.791 170.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 m -58.87 -32.0 69.07 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.0 tp -70.21 -49.92 45.33 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.489 1.516 . . . . 0.0 108.504 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -75.91 -29.56 58.46 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 114.173 -1.376 . . . . 0.0 111.52 -174.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.459 ' O ' HD22 ' A' ' 55' ' ' LEU . 89.6 t80 -56.73 -53.2 60.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 165.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.21 -1.68 7.79 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-O 118.433 -1.204 . . . . 0.0 115.255 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -57.49 -34.49 69.11 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 121.042 2.421 . . . . 0.0 112.642 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.42 10.42 41.42 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -54.55 -55.26 31.12 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 125.368 1.467 . . . . 0.0 108.203 -178.32 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -72.48 -30.24 64.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.051 -167.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.15 -60.52 3.62 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 m -54.28 -40.41 67.81 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.099 0.959 . . . . 0.0 109.409 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.454 ' HD2' HD21 ' A' ' 16' ' ' LEU . 4.2 mtpm? -53.4 -60.26 3.53 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 125.03 1.332 . . . . 0.0 109.206 176.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -69.65 -33.92 73.28 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 118.883 -1.127 . . . . 0.0 110.513 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -59.51 -33.33 71.22 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.638 1.175 . . . . 0.0 113.693 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.0 mtp -113.76 3.17 15.43 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.598 1.159 . . . . 0.0 111.146 -173.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m 42.46 78.92 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.134 1.773 . . . . 0.0 111.168 -161.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mt -117.49 154.42 31.46 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 106.76 -1.571 . . . . 0.0 106.76 168.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.1 p -93.53 161.13 14.49 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 123.372 0.669 . . . . 0.0 110.288 -161.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -67.73 -13.74 62.36 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.368 1.067 . . . . 0.0 111.862 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.8 -34.2 52.52 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 119.222 -0.418 . . . . 0.0 111.899 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 pt -79.82 -14.02 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.086 0.857 . . . . 0.0 112.808 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -62.29 -41.08 98.2 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 173.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -45.86 81.25 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.322 1.449 . . . . 0.0 110.816 170.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -70.15 -14.96 62.88 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.498 1.119 . . . . 0.0 112.402 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -100.47 -36.51 9.18 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.639 1.576 . . . . 0.0 111.844 175.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -68.12 -65.18 0.73 Allowed 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 126.897 2.079 . . . . 0.0 108.894 175.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -77.17 12.59 1.39 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.492 1.117 . . . . 0.0 111.19 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -54.48 -37.49 65.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 120.31 1.414 . . . . 0.0 109.871 173.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -97.03 66.11 2.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.67 1.588 . . . . 0.0 109.48 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.98 173.69 6.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 128.653 2.781 . . . . 0.0 110.532 167.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.23 49.5 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.097 1.359 . . . . 0.0 113.115 -170.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.25 52.56 0.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 107.865 -2.094 . . . . 0.0 107.865 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -88.66 147.39 24.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 162.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.75 134.4 55.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.783 0.801 . . . . 0.0 112.669 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.1 mt -113.7 107.8 23.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 127.671 2.388 . . . . 0.0 106.042 -167.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 -14.78 3.92 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.172 -0.918 . . . . 0.0 113.338 -175.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -64.63 122.52 17.03 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 120.346 1.43 . . . . 0.0 109.38 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -57.94 -25.9 61.54 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.731 -0.605 . . . . 0.0 110.596 175.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.15 -20.29 66.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.344 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 p -71.89 -48.31 46.58 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.911 1.232 . . . . 0.0 108.715 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 112' ' ' LEU . . . -56.47 -45.92 88.62 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 124.544 1.069 . . . . 0.0 111.994 -173.199 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -40.39 97.59 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.535 -0.333 . . . . 0.0 111.818 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.42 84.86 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.565 -0.709 . . . . 0.0 110.752 174.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.34 -43.91 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.717 0.807 . . . . 0.0 110.054 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -59.87 -49.83 76.15 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 119.347 0.976 . . . . 0.0 111.397 173.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.4 t -56.7 -43.13 80.25 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 117.964 0.347 . . . . 0.0 110.951 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.462 HD21 ' N ' ' A' ' 16' ' ' LEU . 71.8 mt -57.43 -56.36 22.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.097 174.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 m -49.8 -46.31 50.83 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.547 1.067 . . . . 0.0 112.0 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 m -51.76 -56.41 14.01 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.816 1.189 . . . . 0.0 110.186 170.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -61.38 -36.8 81.26 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.555 1.07 . . . . 0.0 112.14 -170.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.27 -21.79 66.77 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.836 0.744 . . . . 0.0 110.8 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.2 t30 63.94 100.14 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 127.09 2.156 . . . . 0.0 107.344 -150.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 26.1 mtm -148.28 4.83 0.72 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.285 1.034 . . . . 0.0 112.839 172.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.6 mt -102.17 122.56 44.4 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.746 1.157 . . . . 0.0 108.115 175.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.3 171.09 3.59 Favored Pre-proline 0 N--CA 1.477 0.903 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.61 -7.73 20.21 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.5 2.133 . . . . 0.0 112.71 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -98.82 -13.39 20.13 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 126.804 2.042 . . . . 0.0 110.667 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.92 29.8 40.95 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.374 1.464 . . . . 0.0 113.533 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -130.53 59.45 1.65 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.686 1.243 . . . . 0.0 110.223 -174.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? 62.98 112.25 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.421 1.888 . . . . 0.0 112.792 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -78.88 90.64 4.72 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.049 0.94 . . . . 0.0 109.638 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -42.24 -42.08 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 126.095 1.758 . . . . 0.0 113.43 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.97 -73.85 0.42 Allowed Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.45 0.548 . . . . 0.0 112.595 173.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -56.62 -37.37 70.61 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.956 1.302 . . . . 0.0 113.088 -176.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.05 -53.42 57.19 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.594 1.557 . . . . 0.0 109.788 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.489 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 8.7 ttm -65.73 -36.43 83.57 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.573 0.749 . . . . 0.0 110.82 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -53.29 59.39 Favored 'General case' 0 N--CA 1.432 -1.373 0 C-N-CA 123.703 0.801 . . . . 0.0 110.227 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -53.67 -39.84 65.44 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.068 0.547 . . . . 0.0 110.192 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.35 -67.77 0.32 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.442 0.697 . . . . 0.0 110.52 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.489 ' HE2' ' SD ' ' A' ' 74' ' ' MET . 0.9 OUTLIER -57.6 -34.24 69.05 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.838 -0.539 . . . . 0.0 111.008 -175.314 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -52.44 -43.09 64.68 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.4 1.88 . . . . 0.0 112.166 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -84.54 2.18 42.41 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.821 0.737 . . . . 0.0 111.636 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.52 23.34 34.11 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-N 119.315 0.961 . . . . 0.0 112.294 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.67 146.42 30.85 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.616 1.708 . . . . 0.0 107.809 169.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.4 162.24 28.55 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 174.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.08 -58.99 4.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.387 1.475 . . . . 0.0 111.446 -173.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.3 m -61.8 -34.55 76.1 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.328 0.651 . . . . 0.0 109.66 175.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.557 ' O ' HD22 ' A' ' 90' ' ' LEU . 8.7 ttt -54.15 -59.41 4.69 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 176.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.75 73.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 117.172 -1.394 . . . . 0.0 112.379 -175.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -58.87 -50.94 72.1 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.011 0.823 . . . . 0.0 110.224 170.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -52.75 -56.2 17.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 124.955 1.302 . . . . 0.0 111.427 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 86' ' ' MET . 1.1 mm? -53.7 -39.12 64.91 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 120.365 1.439 . . . . 0.0 112.842 177.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mt -73.19 -38.28 54.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-N 120.177 1.353 . . . . 0.0 111.468 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.29 -34.84 77.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 120.828 1.649 . . . . 0.0 110.375 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mt -72.69 -57.13 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.279 1.031 . . . . 0.0 109.249 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.9 t -58.39 -56.81 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 124.384 1.074 . . . . 0.0 110.075 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -56.08 -38.38 70.6 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.45 0.7 . . . . 0.0 109.163 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.27 17.6 9.74 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 127.582 2.515 . . . . 0.0 113.057 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 22.2 m -126.59 -34.74 2.41 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 116.555 -1.688 . . . . 0.0 110.2 166.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.63 -24.01 0.48 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 121.903 2.138 . . . . 0.0 115.657 -177.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 -25.28 1.93 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 120.124 -1.61 . . . . 0.0 112.91 176.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.446 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . 59.8 m -60.04 -46.29 90.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.09 1.756 . . . . 0.0 111.781 170.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.9 m -73.81 122.37 87.42 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 125.479 1.512 . . . . 0.0 108.541 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -76.07 145.31 27.79 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.103 2.535 . . . . 0.0 110.858 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.99 -174.82 5.11 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.465 1.506 . . . . 0.0 110.093 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -179.54 3.98 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.25 1.02 . . . . 0.0 110.155 171.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -10.61 11.2 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 125.576 1.55 . . . . 0.0 112.791 171.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.46 92.03 0.8 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 166.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -54.48 -26.94 34.32 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 124.31 1.044 . . . . 0.0 111.53 173.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 63.7 m -54.67 -55.13 32.94 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 171.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.6 mt -63.83 -44.78 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 125.312 1.445 . . . . 0.0 109.534 -175.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -51.5 -60.27 3.33 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.696 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.5 m -69.67 -23.23 63.43 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.402 1.001 . . . . 0.0 112.369 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.44 ' HB2' ' HA3' ' A' ' 49' ' ' GLY . 2.1 tp -58.76 -50.64 73.2 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.663 -1.273 . . . . 0.0 108.622 164.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.83 -51.87 46.4 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.773 1.178 . . . . 0.0 111.298 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.27 -30.38 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 C-N-CA 124.456 1.102 . . . . 0.0 110.822 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.86 -36.25 56.9 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.614 -1.304 . . . . 0.0 112.203 171.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.8 m -71.54 -47.36 55.65 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.414 1.085 . . . . 0.0 110.579 -172.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 26.3 p -57.05 -48.58 78.19 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 175.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.402 ' CZ ' HD11 ' A' ' 122' ' ' ILE . 88.9 t80 -57.81 -50.06 74.56 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.663 1.985 . . . . 0.0 110.329 -178.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.08 -52.02 9.53 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.777 1.631 . . . . 0.0 110.392 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.37 -25.0 68.09 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.22 -34.54 49.25 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.187 0.995 . . . . 0.0 110.507 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.402 HD11 ' CZ ' ' A' ' 118' ' ' PHE . 3.0 mm -64.5 -42.29 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -53.14 -55.81 21.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.655 0.782 . . . . 0.0 111.429 166.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -49.83 -51.63 38.46 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.668 1.576 . . . . 0.0 112.071 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.2 mt -69.33 -6.76 31.72 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.709 1.203 . . . . 0.0 112.393 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 51.3 t30 54.64 26.1 7.08 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.138 2.175 . . . . 0.0 111.847 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -79.81 31.72 0.25 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.057 1.343 . . . . 0.0 112.551 -178.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.832 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 175.915 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.271 2.2 mm-40 22.2 -78.0 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 147.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -49.85 -68.99 0.13 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.061 1.344 . . . . 0.0 111.637 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.07 -33.34 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.977 0.911 . . . . 0.0 111.063 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -50.33 74.38 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.76 0.824 . . . . 0.0 110.71 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -60.1 -45.94 91.26 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.7 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -57.76 -40.99 81.04 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.599 1.16 . . . . 0.0 111.921 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mt -66.67 -47.94 70.88 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.674 1.19 . . . . 0.0 109.877 174.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t -72.81 19.83 0.08 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.943 1.697 . . . . 0.0 111.764 173.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -129.07 -51.6 1.21 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 126.04 1.736 . . . . 0.0 108.599 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -60.93 -27.09 67.95 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.796 1.238 . . . . 0.0 112.344 174.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -53.8 -65.57 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.274 1.829 . . . . 0.0 108.334 170.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.45 36.2 2.43 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 120.987 -1.071 . . . . 0.0 113.28 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -66.35 -62.66 1.35 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.618 1.709 . . . . 0.0 109.428 169.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.79 22.36 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.638 1.575 . . . . 0.0 113.355 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.05 -50.26 72.68 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 120.871 -1.143 . . . . 0.0 110.448 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.45 -35.89 72.83 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.232 0.924 . . . . 0.0 112.535 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.66 -67.02 0.4 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 173.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 70.3 m -48.59 -43.04 35.67 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.457 0.703 . . . . 0.0 111.986 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HG2' HD11 ' A' ' 29' ' ' ILE . 21.3 mtpp -51.57 -54.73 24.47 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.626 1.57 . . . . 0.0 111.105 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -82.24 -19.84 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.064 0.393 . . . . 0.0 110.993 -175.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.43 -27.75 63.5 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.182 0.993 . . . . 0.0 112.971 173.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.5 mtp -118.24 -14.71 9.83 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.263 1.025 . . . . 0.0 112.218 -171.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.0 m 57.36 87.92 0.06 Allowed 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.574 1.55 . . . . 0.0 109.779 -156.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.7 mt -119.53 139.63 51.8 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 167.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.8 p -67.35 164.12 19.24 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 125.044 1.337 . . . . 0.0 111.422 -170.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -22.41 65.75 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.176 -0.952 . . . . 0.0 111.059 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.65 -22.74 64.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -176.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.475 HD11 ' HG2' ' A' ' 20' ' ' LYS . 2.3 pt -72.58 -26.16 23.67 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 CA-C-O 117.663 -1.16 . . . . 0.0 111.941 174.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -60.28 -47.55 85.51 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 120.261 1.391 . . . . 0.0 107.325 173.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' HG3' HD22 ' A' ' 35' ' ' ASN . 2.8 tt0 -59.04 -44.05 91.72 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.543 1.137 . . . . 0.0 110.386 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.0 -57.78 11.19 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.699 0.399 . . . . 0.0 110.028 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.6 -45.19 81.55 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.399 1.48 . . . . 0.0 111.809 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -62.0 -48.84 78.51 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.887 1.275 . . . . 0.0 110.281 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.427 HD22 ' HG3' ' A' ' 31' ' ' GLU . 73.9 m-80 -91.54 2.19 56.61 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 117.542 -1.218 . . . . 0.0 112.36 -173.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -50.27 -38.28 40.29 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 120.649 1.568 . . . . 0.0 112.683 -168.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.464 ' CH2' HG21 ' A' ' 122' ' ' ILE . 39.8 m95 -82.81 26.44 0.59 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.579 1.552 . . . . 0.0 114.477 176.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -72.18 168.17 18.78 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 126.13 1.772 . . . . 0.0 109.558 167.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -96.72 24.67 5.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -167.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.91 30.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.673 0 C-N-CA 124.795 1.188 . . . . 0.0 111.765 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -72.35 131.18 42.31 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.956 0.878 . . . . 0.0 108.921 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -101.28 138.06 38.81 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.773 0.829 . . . . 0.0 112.557 169.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -115.08 103.48 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 -164.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -137.27 4.48 2.68 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -63.84 93.46 0.08 Allowed 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 158.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.425 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 51.8 ttt-85 -46.23 -30.82 2.15 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.176 1.391 . . . . 0.0 113.355 174.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.7 -24.29 65.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.858 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.6 p -69.04 -41.92 77.03 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 119.765 1.166 . . . . 0.0 108.455 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.08 -47.07 75.56 Favored Glycine 0 C--N 1.335 0.522 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -30.64 63.83 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.894 -1.05 . . . . 0.0 113.449 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.52 -55.39 35.49 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 121.26 1.845 . . . . 0.0 108.799 167.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.2 mt -49.74 -42.21 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 125.466 1.507 . . . . 0.0 109.332 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 39.0 ttp -61.65 -55.99 24.63 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.216 1.006 . . . . 0.0 112.75 172.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.24 -58.18 7.95 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.126 0.971 . . . . 0.0 111.311 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -48.4 -49.15 36.01 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 125.847 1.659 . . . . 0.0 111.364 172.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.2 m -51.24 -50.42 59.21 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.081 1.31 . . . . 0.0 112.535 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -53.22 -50.15 65.3 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.774 1.17 . . . . 0.0 110.444 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -63.19 -18.22 63.25 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -173.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.08 2.24 55.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.388 1.904 . . . . 0.0 111.974 171.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.2 t30 66.08 36.25 5.82 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 128.171 2.589 . . . . 0.0 113.162 -168.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 47.9 mtm -95.65 8.89 42.12 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.981 -1.074 . . . . 0.0 112.281 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.2 mt -118.88 98.32 6.14 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 120.365 1.439 . . . . 0.0 108.702 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.53 167.14 0.49 Allowed Pre-proline 0 CA--C 1.537 0.457 0 C-N-CA 128.411 2.685 . . . . 0.0 109.915 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -84.98 41.6 0.98 Allowed 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.067 1.845 . . . . 0.0 112.702 -158.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -147.38 -18.38 0.38 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.99 2.916 . . . . 0.0 109.448 -176.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.97 20.69 32.68 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.314 1.435 . . . . 0.0 112.91 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -95.07 164.45 12.87 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.241 1.416 . . . . 0.0 109.194 165.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 tt -80.03 120.28 23.99 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -176.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.13 85.99 2.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.696 1.198 . . . . 0.0 108.868 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -50.75 -36.61 37.45 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 125.615 1.566 . . . . 0.0 111.975 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.1 -68.53 1.37 Allowed Glycine 0 CA--C 1.523 0.558 0 C-N-CA 124.401 1.0 . . . . 0.0 112.02 170.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -29.12 70.4 Favored 'General case' 0 CA--C 1.53 0.205 0 O-C-N 122.217 -0.578 . . . . 0.0 111.589 -176.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.13 97.61 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.537 1.135 . . . . 0.0 111.209 173.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.3 ttm -69.57 -38.53 77.43 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.441 -0.787 . . . . 0.0 111.389 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.92 -47.6 84.43 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -52.14 -45.52 65.03 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.982 1.313 . . . . 0.0 110.121 174.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.85 -58.52 7.63 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 124.233 1.013 . . . . 0.0 110.712 -177.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.9 mppp? -59.55 -43.91 93.41 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.332 0.653 . . . . 0.0 109.425 -177.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -46.1 -55.75 6.56 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.458 1.503 . . . . 0.0 111.105 173.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -75.62 -7.78 55.13 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 117.772 -1.108 . . . . 0.0 113.577 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.35 8.02 33.9 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 120.279 1.4 . . . . 0.0 114.691 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.42 159.36 21.49 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.369 1.585 . . . . 0.0 109.05 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.68 171.48 14.97 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.958 0.409 . . . . 0.0 110.624 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -53.18 59.15 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.469 1.107 . . . . 0.0 108.594 172.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.3 m -58.04 -50.68 72.59 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.86 1.264 . . . . 0.0 108.866 -175.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.6 ttp -59.89 -49.36 77.99 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.316 1.046 . . . . 0.0 110.626 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.8 -29.7 69.71 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 120.015 1.279 . . . . 0.0 112.833 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -60.63 -50.87 71.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.25 169.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -56.98 -44.35 82.61 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.752 1.221 . . . . 0.0 111.776 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.9 mt -63.62 -16.45 60.94 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.233 1.013 . . . . 0.0 112.684 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mp -99.6 -41.23 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.053 167.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.35 -44.47 80.13 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 120.87 1.668 . . . . 0.0 111.184 -176.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 55.4 mt -70.04 -53.66 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.43 1.092 . . . . 0.0 108.889 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.23 -56.97 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 124.258 1.023 . . . . 0.0 110.151 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -51.81 -42.21 62.33 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.451 1.5 . . . . 0.0 108.321 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.79 -52.75 40.36 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 125.423 1.487 . . . . 0.0 112.406 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 11.6 m -68.86 -30.86 69.47 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 116.061 -1.924 . . . . 0.0 112.903 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -15.09 0.66 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 122.26 2.3 . . . . 0.0 115.883 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.43 -29.44 2.44 Favored 'General case' 0 N--CA 1.461 0.083 0 C-N-CA 125.675 1.59 . . . . 0.0 113.131 175.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.19 -53.11 49.65 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.704 0.802 . . . . 0.0 112.2 172.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.8 m -55.51 116.85 12.89 Favored Pre-proline 0 N--CA 1.451 -0.41 0 C-N-CA 125.248 1.419 . . . . 0.0 109.744 -171.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.39 129.1 11.7 Favored 'Trans proline' 0 N--CA 1.444 -1.402 0 C-N-CA 122.154 1.903 . . . . 0.0 108.477 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -139.32 170.22 16.33 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.718 1.207 . . . . 0.0 109.317 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -80.59 -175.0 4.99 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 163.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -5.53 6.24 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.573 -0.704 . . . . 0.0 112.225 166.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -70.05 95.32 0.95 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.358 1.063 . . . . 0.0 109.31 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.6 ' HE3' ' CE3' ' A' ' 110' ' ' TRP . 2.3 mmmt -53.01 -27.77 20.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.54 -1.219 . . . . 0.0 112.992 178.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 34.1 m -61.42 -50.47 72.68 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.783 1.174 . . . . 0.0 108.598 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.0 mm -60.42 -47.83 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 126.059 1.744 . . . . 0.0 109.164 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.6 ' CE3' ' HE3' ' A' ' 107' ' ' LYS . 27.0 t90 -50.7 -63.66 1.06 Allowed 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 124.493 1.117 . . . . 0.0 110.696 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.8 m -60.14 -31.33 69.98 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.03 0.932 . . . . 0.0 110.784 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -60.76 -53.83 52.57 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 125.092 1.357 . . . . 0.0 111.142 172.472 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.36 -44.02 95.39 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 40.4 t -57.38 -42.61 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 117.441 0.62 . . . . 0.0 110.767 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.3 71.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.878 -1.139 . . . . 0.0 111.989 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.3 m -73.1 -41.92 63.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.618 0.767 . . . . 0.0 110.904 -172.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.7 p -65.15 -45.77 83.63 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.243 0.929 . . . . 0.0 109.288 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -56.64 -52.36 65.17 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.999 1.719 . . . . 0.0 110.675 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -47.65 -54.42 12.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.44 1.018 . . . . 0.0 110.067 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.96 -35.11 72.62 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.91 -42.08 99.66 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 121.301 -0.874 . . . . 0.0 110.435 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.464 HG21 ' CH2' ' A' ' 37' ' ' TRP . 15.7 mm -56.6 -47.16 82.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 119.541 1.064 . . . . 0.0 109.824 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -56.81 -43.94 81.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.046 0.538 . . . . 0.0 110.888 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -40.34 94.9 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.075 1.35 . . . . 0.0 108.556 -178.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 38.3 mt -71.74 -3.57 22.74 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.875 -176.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 36.6 t30 54.95 22.97 4.67 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 128.516 2.726 . . . . 0.0 111.605 -167.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -73.24 9.89 1.14 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.625 1.57 . . . . 0.0 112.298 175.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 1 C-N-CA 133.822 4.849 . . . . 0.0 110.861 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 CA--C 1.514 -0.41 0 CA-C-O 117.007 -1.473 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 23.48 -87.18 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.888 2.875 . . . . 0.0 113.649 160.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -43.77 -64.85 0.58 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 129.704 3.201 . . . . 0.0 112.352 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.614 HG12 ' CD1' ' A' ' 8' ' ' LEU . 6.8 t -56.72 -45.71 82.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 C-N-CA 123.976 0.911 . . . . 0.0 108.566 175.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -39.57 74.65 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.02 -1.05 . . . . 0.0 110.191 -175.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -56.03 -55.06 37.37 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 118.893 0.77 . . . . 0.0 109.763 171.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -48.11 -49.07 33.31 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.292 1.837 . . . . 0.0 110.129 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.614 ' CD1' HG12 ' A' ' 4' ' ' VAL . 7.1 mp -54.01 -57.41 11.14 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.413 1.085 . . . . 0.0 109.518 177.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 p -64.41 -22.73 67.05 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.18 -62.82 1.22 Allowed 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.441 ' HA ' ' HG2' ' A' ' 14' ' ' LYS . 9.6 m-80 -77.24 -20.44 55.22 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 114.295 -1.321 . . . . 0.0 111.02 -169.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -57.26 -62.25 1.9 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.358 1.063 . . . . 0.0 109.175 164.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.47 12.32 3.54 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 118.597 -1.113 . . . . 0.0 114.206 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' A' ' 11' ' ' ASN . 21.1 mmtp -56.77 -52.13 66.22 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.503 2.151 . . . . 0.0 110.678 174.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.32 17.78 0.61 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.709 1.204 . . . . 0.0 112.417 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tp -56.7 -53.51 56.9 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 120.151 1.341 . . . . 0.0 109.996 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.56 -31.54 69.78 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 118.289 0.495 . . . . 0.0 111.804 -173.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -54.22 -60.83 2.81 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 168.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.2 m -59.38 -31.25 69.05 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.778 1.231 . . . . 0.0 113.12 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.15 -56.69 16.21 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 172.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -76.42 -26.39 55.47 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 118.965 0.802 . . . . 0.0 111.526 -171.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.26 -35.29 67.27 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 125.99 1.716 . . . . 0.0 112.506 175.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mtm -130.99 1.88 4.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.277 0.631 . . . . 0.0 111.89 -169.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.3 m 44.72 84.2 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.288 1.435 . . . . 0.0 110.75 -158.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 mt -108.18 136.44 47.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 164.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.3 p -60.93 161.47 8.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.051 0.844 . . . . 0.0 112.587 -171.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -23.43 67.22 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 122.929 0.492 . . . . 0.0 111.69 164.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.68 -16.26 60.56 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -173.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pt -72.26 -21.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.97 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -57.22 -43.37 82.78 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -59.96 -51.18 70.78 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.89 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -65.28 -16.61 63.75 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.752 1.16 . . . . 0.0 112.263 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -92.68 -48.59 6.51 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 125.912 1.685 . . . . 0.0 110.812 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.61 -50.48 71.87 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.37 2.268 . . . . 0.0 110.089 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -93.36 6.13 49.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.452 2.301 . . . . 0.0 111.884 -176.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -50.08 -34.14 20.78 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.621 1.1 . . . . 0.0 110.509 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -94.98 17.88 13.07 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.521 1.928 . . . . 0.0 114.822 -174.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.95 165.56 8.67 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.975 -1.078 . . . . 0.0 109.865 168.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -89.09 24.5 2.1 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 125.086 1.354 . . . . 0.0 114.344 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.99 17.39 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 C-N-CA 123.806 0.717 . . . . 0.0 112.614 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.46 129.78 38.71 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 118.33 1.065 . . . . 0.0 109.766 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -97.1 134.99 39.72 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.755 174.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.5 mt -113.87 110.19 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.01 4.24 4.11 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.661 0.784 . . . . 0.0 112.011 175.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.531 ' HB3' HG23 ' A' ' 48' ' ' THR . 32.0 t-20 -62.2 110.28 1.57 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.822 1.649 . . . . 0.0 109.197 173.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.411 ' HE ' HD11 ' A' ' 109' ' ' ILE . 32.0 ttm105 -61.08 -26.68 67.81 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 121.146 -0.971 . . . . 0.0 111.08 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.62 -31.39 70.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.714 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.531 HG23 ' HB3' ' A' ' 45' ' ' ASN . 40.2 p -71.13 -40.73 71.24 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 119.454 1.024 . . . . 0.0 108.54 -176.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA3' ' HB2' ' A' ' 112' ' ' LEU . . . -57.75 -45.7 93.11 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 177.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.77 -28.65 61.77 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 176.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.5 -49.97 71.46 Favored 'General case' 0 C--O 1.227 -0.097 0 CA-C-N 119.412 1.005 . . . . 0.0 109.816 171.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.31 -41.68 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 124.61 1.164 . . . . 0.0 109.358 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -61.99 -52.14 65.2 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.959 0.799 . . . . 0.0 110.727 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.0 t -56.4 -45.31 80.7 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.606 -1.309 . . . . 0.0 111.046 178.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.4 -45.34 93.55 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.298 -0.877 . . . . 0.0 111.088 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.7 m -49.95 -55.95 12.5 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.051 1.34 . . . . 0.0 110.584 172.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 m -50.23 -56.61 10.41 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.006 0.922 . . . . 0.0 110.355 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -62.23 -13.45 28.15 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.25 1.42 . . . . 0.0 112.177 -173.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.6 mt -102.8 9.08 39.21 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.057 1.343 . . . . 0.0 110.864 176.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 44.05 49.42 7.43 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 129.34 3.056 . . . . 0.0 112.32 -163.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -93.87 29.54 2.06 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 121.753 -0.592 . . . . 0.0 111.185 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 62' ' ' LEU . 15.4 mt -125.74 119.76 28.8 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 121.518 -0.739 . . . . 0.0 109.138 173.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.77 172.03 1.24 Allowed Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 127.207 2.203 . . . . 0.0 109.512 177.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.92 4.07 3.44 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.695 2.263 . . . . 0.0 115.022 -171.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -114.59 -15.41 11.99 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.135 1.334 . . . . 0.0 112.694 166.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.18 24.73 11.07 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 124.693 1.14 . . . . 0.0 113.594 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -121.97 93.74 4.09 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 24.36 124.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.667 1 C-N-CA 135.53 5.532 . . . . 0.0 117.539 -177.126 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -79.57 84.31 5.45 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.459 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -53.65 -33.43 55.18 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.574 1.55 . . . . 0.0 112.565 175.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.13 -58.33 15.13 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 123.261 0.458 . . . . 0.0 112.064 170.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -23.26 62.66 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.385 -1.068 . . . . 0.0 111.467 -176.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.92 -54.5 15.13 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.464 1.505 . . . . 0.0 110.529 173.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.8 ttm -59.68 -35.52 74.63 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.681 0.673 . . . . 0.0 110.997 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -58.99 -43.58 91.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.14 174.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -54.6 -47.95 72.74 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.86 10.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.4 0.68 . . . . 0.0 111.325 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -22.35 64.93 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.139 0.881 . . . . 0.0 111.517 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -66.29 -50.22 64.43 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 125.215 1.406 . . . . 0.0 110.186 167.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -76.4 -9.05 58.35 Favored 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -164.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.03 7.05 27.51 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 119.625 1.102 . . . . 0.0 112.888 -173.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.97 166.09 17.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 119.329 1.564 . . . . 0.0 110.892 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.446 ' H ' ' HE3' ' A' ' 86' ' ' MET . 7.1 m-20 -96.41 167.47 11.15 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.174 1.789 . . . . 0.0 108.808 -170.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -50.9 66.98 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.298 1.039 . . . . 0.0 111.383 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -62.68 -48.02 81.11 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 123.557 0.743 . . . . 0.0 109.369 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.446 ' HE3' ' H ' ' A' ' 83' ' ' ASP . 1.2 ttp -55.79 -46.24 78.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.578 0.751 . . . . 0.0 109.824 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.64 84.64 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.451 -0.785 . . . . 0.0 112.029 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -69.02 -38.38 79.17 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.522 -1.228 . . . . 0.0 110.727 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -56.79 -49.11 76.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 120.469 1.486 . . . . 0.0 111.343 174.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.05 -17.47 57.49 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.667 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.1 mt -96.73 -40.57 10.57 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 119.98 1.264 . . . . 0.0 111.511 170.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.6 -43.56 84.78 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 119.607 1.094 . . . . 0.0 110.21 -174.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.2 mt -76.1 -40.87 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.149 0.98 . . . . 0.0 109.426 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.19 -55.7 15.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 124.218 1.007 . . . . 0.0 110.406 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.44 -40.69 71.84 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.128 1.371 . . . . 0.0 108.428 176.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.72 15.05 2.34 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 127.366 2.412 . . . . 0.0 114.639 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.8 m -127.78 -29.02 2.64 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 125.739 1.616 . . . . 0.0 110.335 169.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -50.71 -26.03 5.03 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 122.226 2.285 . . . . 0.0 115.567 -175.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -33.46 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.743 1.217 . . . . 0.0 110.7 177.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.7 m -56.86 -46.96 81.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 127.331 2.252 . . . . 0.0 112.848 173.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.2 m -65.78 118.86 55.77 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 174.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.95 135.04 22.57 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.667 2.245 . . . . 0.0 107.8 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.35 -174.89 4.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.777 0.799 . . . . 0.0 111.18 -175.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -128.1 -179.17 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 127.118 2.167 . . . . 0.0 107.65 167.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.61 -10.37 26.0 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.526 1.13 . . . . 0.0 112.923 -174.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.499 ' HB3' ' H ' ' A' ' 109' ' ' ILE . 3.0 m-20 -65.82 96.01 0.27 Allowed 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 165.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.5 mmpp? -51.75 -26.96 10.58 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.066 163.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 17.1 m -59.92 -57.42 12.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.144 0.884 . . . . 0.0 108.966 170.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.499 ' H ' ' HB3' ' A' ' 106' ' ' ASP . 7.2 mm -62.65 -46.06 97.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 125.602 1.561 . . . . 0.0 109.512 -172.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -49.32 -64.13 0.9 Allowed 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 125.217 1.407 . . . . 0.0 109.514 173.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.3 m -60.59 -39.33 87.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.53 0.732 . . . . 0.0 110.795 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.451 ' HB2' ' HA3' ' A' ' 49' ' ' GLY . 6.1 tp -55.97 -46.91 78.48 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 124.343 1.057 . . . . 0.0 109.236 173.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.55 93.33 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.865 0.745 . . . . 0.0 111.362 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.06 -19.84 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 124.512 1.125 . . . . 0.0 110.871 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.64 -37.75 14.4 Favored 'General case' 0 C--O 1.225 -0.22 0 O-C-N 120.763 -1.21 . . . . 0.0 111.831 169.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 34.6 m -73.22 -35.08 66.23 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.915 1.234 . . . . 0.0 111.272 -173.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 22.7 p -58.23 -56.24 24.64 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.544 1.066 . . . . 0.0 108.27 170.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -61.08 -46.97 88.45 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 128.855 2.862 . . . . 0.0 111.893 -171.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -41.68 -57.63 2.24 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 125.716 1.606 . . . . 0.0 108.654 172.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.12 -11.0 60.58 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.463 -170.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -85.23 -33.03 22.31 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 120.48 1.491 . . . . 0.0 112.377 168.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.409 HG23 ' HB2' ' A' ' 127' ' ' TRP . 11.8 mm -55.12 -43.33 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 167.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -59.0 -45.41 90.72 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.129 0.972 . . . . 0.0 112.915 175.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -48.32 77.63 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 121.997 2.181 . . . . 0.0 111.483 173.203 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.26 -22.57 63.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.431 1.092 . . . . 0.0 110.599 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 52.5 t30 66.85 49.72 1.17 Allowed 'General case' 0 C--O 1.237 0.414 0 C-N-CA 129.086 2.955 . . . . 0.0 110.485 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.409 ' HB2' HG23 ' A' ' 122' ' ' ILE . 52.3 m0 -105.11 18.31 22.56 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.217 1.407 . . . . 0.0 114.235 -173.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 CA-C-N 121.082 1.765 . . . . 0.0 111.523 176.198 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -59.16 -28.05 66.23 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 124.969 1.308 . . . . 0.0 112.12 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -47.55 -64.17 0.86 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.278 1.031 . . . . 0.0 109.904 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.1 p -84.02 -35.68 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 123.391 0.676 . . . . 0.0 112.396 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -41.63 76.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.956 -0.465 . . . . 0.0 111.024 -176.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -40.07 86.77 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 120.555 -1.341 . . . . 0.0 109.897 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -56.3 -49.55 73.97 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 127.016 2.126 . . . . 0.0 111.186 169.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.9 mt -59.71 -54.02 51.2 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.098 -1.001 . . . . 0.0 108.644 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.2 m -59.31 -14.45 11.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.904 1.282 . . . . 0.0 113.428 174.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.3 -66.55 0.9 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.43 -4.27 47.49 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -169.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -43.26 -54.6 4.47 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.146 0.978 . . . . 0.0 109.815 153.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.1 43.28 2.94 Favored Glycine 0 C--N 1.336 0.534 0 O-C-N 121.066 -1.021 . . . . 0.0 113.524 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -53.91 18.06 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.965 1.882 . . . . 0.0 109.295 171.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.12 25.69 0.16 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.87 1.268 . . . . 0.0 113.396 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 tp -62.95 -56.09 20.2 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.577 1.151 . . . . 0.0 111.58 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -29.55 70.23 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.56 -52.07 35.85 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.4 m -55.43 -38.61 69.22 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.087 0.955 . . . . 0.0 111.454 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -58.79 -63.27 1.35 Allowed 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.85 1.26 . . . . 0.0 109.019 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.49 -28.13 69.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 119.483 1.038 . . . . 0.0 112.581 -177.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -60.32 -58.43 8.55 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.484 1.114 . . . . 0.0 111.618 175.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.0 mtm -101.82 -0.3 34.44 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.003 0.521 . . . . 0.0 112.224 -169.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.7 m 58.97 81.8 0.16 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.411 2.285 . . . . 0.0 110.592 -171.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -115.39 129.19 56.5 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.8 p -69.42 166.53 18.51 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.221 1.008 . . . . 0.0 110.929 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -11.11 60.44 Favored 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 121.193 -0.942 . . . . 0.0 112.63 174.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.3 -28.74 68.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.199 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.486 HG22 HG22 ' A' ' 48' ' ' THR . 1.4 pt -68.67 -29.8 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 124.631 1.172 . . . . 0.0 110.345 176.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.39 -17.77 64.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.19 -0.944 . . . . 0.0 110.295 173.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.5 -55.1 8.51 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 120.39 1.45 . . . . 0.0 107.325 166.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.481 ' CG ' HG21 ' A' ' 48' ' ' THR . 2.4 p30 -75.29 -27.95 59.55 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 119.241 0.928 . . . . 0.0 112.126 -164.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -65.99 -45.98 79.68 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.233 0.924 . . . . 0.0 111.066 165.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -60.79 -49.33 77.92 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 119.697 1.135 . . . . 0.0 109.411 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.99 -4.74 48.54 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 126.251 1.821 . . . . 0.0 111.576 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -52.07 -44.69 64.46 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 121.501 1.955 . . . . 0.0 112.091 -165.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.3 m95 -82.86 38.51 0.58 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.363 1.065 . . . . 0.0 112.622 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 170.49 10.16 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.976 1.71 . . . . 0.0 111.633 175.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.35 61.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.696 1.998 . . . . 0.0 112.382 -167.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.84 58.43 1.04 Allowed Glycine 0 N--CA 1.454 -0.116 0 N-CA-C 108.197 -1.961 . . . . 0.0 108.197 -174.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -90.09 166.97 13.1 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.233 1.413 . . . . 0.0 108.807 162.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -133.84 148.78 51.34 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.317 1.447 . . . . 0.0 112.603 168.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.7 mt -123.5 121.68 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 127.982 2.513 . . . . 0.0 105.84 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -136.83 -17.76 1.41 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -56.02 110.71 0.79 Allowed 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -22.33 38.21 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 119.624 1.102 . . . . 0.0 110.591 171.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -52.22 -37.29 54.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.24 2.216 . . . . 0.0 111.478 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.486 HG22 HG22 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -81.05 -36.27 30.72 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -178.839 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.41 -56.19 16.28 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 126.985 2.231 . . . . 0.0 109.248 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.62 -31.49 72.73 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.508 -0.995 . . . . 0.0 113.329 174.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.5 76.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.941 1.246 . . . . 0.0 110.323 172.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.9 mt -60.85 -41.34 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 125.275 1.43 . . . . 0.0 109.087 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 34.5 ttp -59.56 -46.44 88.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.101 0.56 . . . . 0.0 110.761 172.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.82 -48.08 83.13 Favored 'General case' 0 C--N 1.342 0.246 0 O-C-N 121.546 -0.721 . . . . 0.0 111.645 177.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.86 -39.81 95.55 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.406 -0.809 . . . . 0.0 110.022 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 m -56.51 -53.61 55.47 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.804 172.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -48.13 -49.18 33.13 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.38 0.991 . . . . 0.0 111.668 170.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -67.7 -20.1 65.24 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 121.283 -0.886 . . . . 0.0 112.283 -172.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.7 mt -98.77 14.45 28.73 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.181 1.392 . . . . 0.0 110.02 176.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 50.78 36.89 15.49 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 128.672 2.789 . . . . 0.0 111.526 -174.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.9 mtt -85.92 9.7 16.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 117.877 -1.059 . . . . 0.0 111.837 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.3 mt -119.47 116.49 26.23 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 120.322 1.419 . . . . 0.0 108.39 175.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.4 170.62 1.24 Allowed Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 126.42 1.888 . . . . 0.0 109.696 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -75.25 41.75 0.8 Allowed 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.963 3.109 . . . . 0.0 112.611 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -137.23 -27.66 0.96 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 126.182 1.793 . . . . 0.0 109.958 166.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.8 24.77 7.55 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.803 1.192 . . . . 0.0 114.31 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -115.4 169.89 8.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.219 1.509 . . . . 0.0 108.37 168.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.86 116.26 2.44 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.766 1.626 . . . . 0.0 111.093 -173.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -74.42 87.3 2.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.395 1.478 . . . . 0.0 107.842 173.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -51.58 -36.87 47.26 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.381 1.073 . . . . 0.0 111.779 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.49 -75.4 0.23 Allowed Glycine 0 CA--C 1.527 0.807 0 C-N-CA 125.641 1.591 . . . . 0.0 113.477 170.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -66.69 -25.75 66.7 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.314 1.557 . . . . 0.0 112.459 -171.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.57 87.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.557 0.743 . . . . 0.0 111.192 168.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.7 ttm -77.77 -29.82 51.14 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.888 -1.133 . . . . 0.0 112.013 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -55.57 -55.38 32.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.491 1.116 . . . . 0.0 108.477 168.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -50.39 -51.72 43.64 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 124.289 0.993 . . . . 0.0 108.963 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.41 -62.08 1.91 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.004 0.82 . . . . 0.0 113.086 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -39.86 85.14 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.216 -0.928 . . . . 0.0 112.085 -173.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -50.61 -33.64 22.94 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 126.66 1.984 . . . . 0.0 112.902 177.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -90.45 -9.72 46.42 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.836 0.854 . . . . 0.0 112.322 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.84 16.15 12.03 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.496 1.046 . . . . 0.0 113.604 -175.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.97 147.74 52.85 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 119.576 1.688 . . . . 0.0 110.796 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -67.52 159.68 29.21 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.306 167.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -45.04 94.08 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 172.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -31.4 70.33 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.972 0.909 . . . . 0.0 110.941 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.3 ttp -74.33 -51.53 14.9 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 120.737 -1.227 . . . . 0.0 108.347 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -36.92 76.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 122.914 0.485 . . . . 0.0 111.428 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -65.6 -44.66 85.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 117.292 -1.337 . . . . 0.0 109.654 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -57.56 -48.14 80.13 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 120.543 1.519 . . . . 0.0 111.357 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.37 -34.38 72.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 124.372 1.069 . . . . 0.0 111.097 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -39.82 16.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-O 117.299 -1.334 . . . . 0.0 111.567 172.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.92 -37.31 81.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 120.922 1.692 . . . . 0.0 110.971 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 67.9 mt -78.31 -45.36 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 124.189 0.996 . . . . 0.0 109.448 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.04 -46.84 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.97 0.805 . . . . 0.0 110.616 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.55 ' CD2' ' HE2' ' A' ' 99' ' ' LYS . 17.9 t-160 -58.07 -50.09 74.67 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 178.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.12 15.95 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 C-N-CA 128.148 2.785 . . . . 0.0 115.009 174.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 10.3 m -133.0 -29.4 1.45 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 116.192 -1.861 . . . . 0.0 111.599 165.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -54.98 -22.07 13.97 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 123.435 2.834 . . . . 0.0 112.867 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.55 ' HE2' ' CD2' ' A' ' 95' ' ' HIS . 0.4 OUTLIER -121.89 -25.54 4.98 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 119.807 -1.808 . . . . 0.0 113.417 177.844 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 m -80.54 -33.11 36.52 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.45 1.5 . . . . 0.0 112.943 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.7 m -75.91 114.4 36.67 Favored Pre-proline 0 N--CA 1.45 -0.465 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 170.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -71.33 147.72 53.59 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.533 2.155 . . . . 0.0 109.449 171.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -155.97 174.1 15.83 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.937 -0.477 . . . . 0.0 110.269 168.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.55 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 0.2 OUTLIER -65.28 177.42 1.09 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.946 0.898 . . . . 0.0 109.374 162.786 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -0.57 1.49 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.152 0.981 . . . . 0.0 112.182 162.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.55 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 6.8 t70 -74.97 94.42 2.84 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 120.376 -1.453 . . . . 0.0 109.572 175.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.601 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 13.5 mmmm -67.21 -24.49 65.85 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.21 -0.932 . . . . 0.0 111.673 -171.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 65.0 m -58.89 -54.34 48.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 169.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.4 mm -59.26 -44.13 91.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 123.893 0.877 . . . . 0.0 110.308 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.601 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 30.1 t90 -57.07 -63.52 1.18 Allowed 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 125.623 1.569 . . . . 0.0 111.556 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -60.5 -33.95 73.35 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 118.648 0.658 . . . . 0.0 110.434 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.22 -55.17 9.08 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.41 1.084 . . . . 0.0 108.988 168.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.53 -38.23 94.58 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.671 1.129 . . . . 0.0 113.158 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.37 -34.94 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 118.349 1.075 . . . . 0.0 110.38 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.17 67.55 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 120.891 -1.13 . . . . 0.0 110.981 170.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 m -60.82 -40.54 93.12 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 120.143 1.338 . . . . 0.0 112.126 -171.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.0 p -66.53 -59.8 3.3 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.399 0.679 . . . . 0.0 109.956 171.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.48 ' CE1' HD11 ' A' ' 122' ' ' ILE . 63.1 t80 -49.23 -50.3 39.17 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 124.941 1.296 . . . . 0.0 111.063 -174.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.04 -55.9 3.02 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 126.073 1.749 . . . . 0.0 110.703 172.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.02 -32.97 72.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 122.203 0.201 . . . . 0.0 111.115 -172.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -70.78 -38.55 73.39 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.245 1.418 . . . . 0.0 109.503 177.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' A' ' 118' ' ' PHE . 7.0 mm -62.91 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 CA-C-N 119.489 1.04 . . . . 0.0 109.678 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -57.66 -45.52 85.44 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 119.205 -0.426 . . . . 0.0 110.22 176.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -59.2 -44.22 92.25 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.777 0.717 . . . . 0.0 111.576 175.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.0 mt -65.18 -8.03 15.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.767 1.227 . . . . 0.0 112.874 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 56.27 22.51 6.28 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.403 1.881 . . . . 0.0 112.025 -170.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 46.8 m0 -82.65 46.35 1.06 Allowed 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.682 -1.261 . . . . 0.0 109.301 177.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 116.9 -1.524 . . . . 0.0 107.815 177.025 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 117.376 -1.297 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.351 0.1 OUTLIER 21.47 -76.4 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 130.154 3.382 . . . . 0.0 116.236 159.523 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -52.72 -47.21 67.5 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.774 2.03 . . . . 0.0 110.387 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.6 t -69.45 -34.23 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.562 1.145 . . . . 0.0 110.584 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -48.48 81.56 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.877 1.217 . . . . 0.0 109.065 176.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -58.08 -51.27 70.38 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 123.688 0.795 . . . . 0.0 109.598 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.71 -40.84 84.87 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.37 -50.78 72.23 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.207 -0.933 . . . . 0.0 109.23 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -58.37 -28.24 64.97 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.665 1.186 . . . . 0.0 111.295 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -80.57 -47.0 14.82 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.668 1.987 . . . . 0.0 109.759 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -82.55 -27.02 31.88 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.506 0.722 . . . . 0.0 111.937 -177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -54.7 -54.87 36.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 157.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.22 47.27 3.79 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.3 -0.722 . . . . 0.0 113.961 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -100.97 -41.4 6.82 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 117.11 -1.424 . . . . 0.0 113.247 174.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.574 ' HB1' ' CE ' ' A' ' 58' ' ' LYS . . . -76.97 27.48 0.14 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 121.025 1.738 . . . . 0.0 113.111 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.72 -56.39 22.45 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.856 -1.152 . . . . 0.0 111.108 -172.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -62.89 -36.33 82.99 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.238 1.015 . . . . 0.0 110.157 -173.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -56.42 -58.77 6.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 170.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.1 m -59.83 -29.42 68.25 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -66.11 -56.81 9.62 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 124.312 1.045 . . . . 0.0 109.374 173.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -66.14 -33.3 75.47 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.617 0.644 . . . . 0.0 110.847 -176.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -57.11 -31.85 65.73 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.879 1.272 . . . . 0.0 113.56 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mtm -127.2 -0.09 6.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -168.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 m 49.99 81.63 0.06 Allowed 'General case' 0 C--O 1.236 0.393 0 C-N-CA 124.501 1.12 . . . . 0.0 109.666 -159.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -112.44 136.65 51.68 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 170.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.7 p -66.82 154.65 40.35 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.584 0.553 . . . . 0.0 111.012 -174.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.3 -20.61 63.01 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 123.226 0.61 . . . . 0.0 110.627 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.04 -10.89 6.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.175 1.79 . . . . 0.0 114.255 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.3 pt -74.45 -16.91 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 119.203 0.911 . . . . 0.0 111.831 169.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -59.09 -51.94 67.89 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -52.8 -41.71 64.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.699 0.681 . . . . 0.0 111.298 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -68.16 -49.01 63.77 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.319 0.508 . . . . 0.0 110.795 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.45 -40.23 95.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 118.819 0.736 . . . . 0.0 111.713 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -60.58 -52.08 66.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 126.026 1.73 . . . . 0.0 109.058 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -89.56 8.24 32.24 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.288 0.635 . . . . 0.0 112.214 -174.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -50.76 -42.19 57.47 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.778 1.631 . . . . 0.0 110.929 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -85.22 17.69 2.93 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -65.47 166.97 9.43 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 120.504 1.502 . . . . 0.0 111.238 174.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -94.35 24.41 4.49 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 126.15 1.78 . . . . 0.0 113.731 -167.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 164.77 31.06 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 C-N-CA 124.519 1.057 . . . . 0.0 111.695 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -82.61 146.66 29.01 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.334 0.654 . . . . 0.0 109.41 -176.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -122.08 133.92 54.77 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 122.419 1.104 . . . . 0.0 110.321 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.7 mt -101.35 122.89 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 104.145 -2.539 . . . . 0.0 104.145 -175.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -142.02 -20.52 0.72 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.403 -173.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 110.53 2.4 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 174.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -53.26 -29.12 31.21 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.806 0.73 . . . . 0.0 110.239 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.15 -29.05 63.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.121 1.368 . . . . 0.0 112.621 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.6 p -69.78 -47.25 63.58 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 119.558 1.072 . . . . 0.0 108.708 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.76 -43.29 86.82 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 124.674 1.13 . . . . 0.0 112.095 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -32.35 61.34 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 118.333 -0.842 . . . . 0.0 112.584 177.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.79 80.31 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.966 1.257 . . . . 0.0 109.643 170.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.9 mt -51.96 -56.19 7.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 C-N-CA 124.604 1.162 . . . . 0.0 108.067 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -55.76 -45.79 78.0 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.31 0.959 . . . . 0.0 111.96 -177.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.67 -47.4 82.41 Favored 'General case' 0 C--O 1.225 -0.201 0 O-C-N 122.026 -0.421 . . . . 0.0 110.618 174.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.68 -44.81 95.3 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.12 -0.987 . . . . 0.0 109.857 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 m -53.22 -49.17 67.34 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.662 1.119 . . . . 0.0 110.262 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -52.3 -55.74 19.41 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.902 -1.124 . . . . 0.0 110.723 171.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.574 ' CE ' ' HB1' ' A' ' 15' ' ' ALA . 3.9 mmmt -62.21 -27.38 68.94 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.312 -0.867 . . . . 0.0 111.189 -172.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.6 mt -84.73 10.83 10.33 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.082 1.353 . . . . 0.0 110.963 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 t30 41.78 46.78 3.42 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 128.454 2.702 . . . . 0.0 110.372 -171.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.97 -1.64 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.778 -169.15 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.6 mt -100.09 137.01 39.11 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 123.549 0.74 . . . . 0.0 109.757 -172.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.38 162.33 1.22 Allowed Pre-proline 0 C--O 1.239 0.506 0 C-N-CA 128.141 2.576 . . . . 0.0 108.456 166.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.03 6.67 0.98 Allowed 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 122.49 2.127 . . . . 0.0 111.784 173.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -114.05 -8.89 13.02 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 128.623 2.769 . . . . 0.0 110.54 -173.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.16 33.48 32.41 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 125.054 1.311 . . . . 0.0 112.644 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -124.42 -171.57 2.37 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 128.094 2.558 . . . . 0.0 107.635 177.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.8 HD13 ' H ' ' A' ' 70' ' ' HIS . 2.1 tm? -70.24 128.28 35.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.348 1.431 . . . . 0.0 109.57 177.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -73.34 -14.92 61.38 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -176.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.8 ' H ' HD13 ' A' ' 68' ' ' LEU . 26.9 m80 67.28 -55.88 0.45 Allowed 'General case' 0 C--O 1.232 0.153 0 C-N-CA 128.984 2.913 . . . . 0.0 112.219 -166.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.4 -72.45 0.57 Allowed Glycine 0 CA--C 1.526 0.778 0 C-N-CA 125.056 1.313 . . . . 0.0 113.057 -174.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -57.86 -40.14 79.43 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.623 -174.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.9 -59.93 2.05 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.916 1.286 . . . . 0.0 110.134 169.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.1 ttm -65.12 -43.98 90.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -60.13 -47.04 87.56 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -58.15 -44.22 87.77 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 124.351 1.061 . . . . 0.0 110.797 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.34 -61.89 2.24 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 123.173 0.589 . . . . 0.0 109.607 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -57.55 -34.46 69.19 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.583 -0.698 . . . . 0.0 111.896 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -54.78 -38.55 67.39 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.805 1.242 . . . . 0.0 112.527 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -78.63 6.86 7.84 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.138 0.575 . . . . 0.0 112.015 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.37 5.33 85.2 Favored Glycine 0 CA--C 1.526 0.741 0 CA-C-O 119.023 -0.876 . . . . 0.0 112.229 -174.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.54 148.49 48.63 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 118.456 1.128 . . . . 0.0 110.256 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.61 153.13 36.88 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.276 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -53.2 57.03 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.39 2.276 . . . . 0.0 109.197 175.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 83.8 m -65.06 -47.55 76.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.664 1.586 . . . . 0.0 110.875 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.5 ttm -52.43 -51.91 56.74 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.46 -38.53 87.56 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.559 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -53.4 58.72 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.97 0.804 . . . . 0.0 109.262 173.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -59.25 -41.0 87.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.57 1.148 . . . . 0.0 111.922 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.8 mt -64.62 -14.62 58.81 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 117.959 -1.02 . . . . 0.0 111.586 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.25 -51.25 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-O 116.629 -1.653 . . . . 0.0 110.698 163.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.1 -28.91 69.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 121.114 1.779 . . . . 0.0 112.149 -165.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 53.5 mt -70.61 -48.81 56.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.55 -58.28 8.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 125.183 1.393 . . . . 0.0 110.413 -173.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -56.62 -38.34 71.96 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 123.866 0.867 . . . . 0.0 109.052 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.23 7.6 2.46 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.893 2.187 . . . . 0.0 114.429 174.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 59.7 m -124.12 -35.57 2.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 126.601 1.961 . . . . 0.0 110.498 169.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.67 -25.59 0.5 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 122.062 2.21 . . . . 0.0 115.136 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.24 -36.75 3.31 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 125.383 1.473 . . . . 0.0 112.023 172.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -40.31 95.47 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.636 0.774 . . . . 0.0 112.043 -175.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.8 m -63.34 120.05 58.63 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 124.718 1.207 . . . . 0.0 109.572 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.18 129.3 11.2 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.013 2.475 . . . . 0.0 109.395 175.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -136.26 174.14 10.94 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.288 0.635 . . . . 0.0 111.0 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.11 176.96 8.44 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 156.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.74 -6.0 4.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.962 0.905 . . . . 0.0 112.5 169.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -67.15 96.04 0.44 Allowed 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 120.707 -1.245 . . . . 0.0 108.504 176.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.653 ' HE3' ' CE3' ' A' ' 110' ' ' TRP . 8.2 mmmt -57.86 -24.46 57.61 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.087 -1.008 . . . . 0.0 113.092 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.2 m -61.75 -52.96 62.1 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 170.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.4 -42.88 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.137 1.775 . . . . 0.0 109.109 -173.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.653 ' CE3' ' HE3' ' A' ' 107' ' ' LYS . 29.3 t90 -47.61 -63.63 1.0 Allowed 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 125.309 1.444 . . . . 0.0 109.527 171.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.7 m -60.58 -38.52 84.88 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.088 0.555 . . . . 0.0 111.382 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.84 -49.87 57.97 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.664 1.586 . . . . 0.0 110.145 172.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.59 -42.72 87.71 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 124.76 1.171 . . . . 0.0 112.085 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.32 -24.53 33.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 117.721 0.761 . . . . 0.0 110.753 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -83.04 -41.72 18.33 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 120.898 -1.126 . . . . 0.0 111.907 168.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.0 m -61.02 -43.57 98.69 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.122 1.328 . . . . 0.0 110.719 -172.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 17.8 p -61.66 -51.71 67.33 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.486 0.66 . . . . 0.0 109.931 178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.76 -48.14 83.15 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.309 2.244 . . . . 0.0 110.057 -175.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -47.53 -54.18 12.37 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.166 0.986 . . . . 0.0 109.74 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.67 73.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.525 ' HA ' ' HE3' ' A' ' 124' ' ' LYS . 8.9 mm-40 -63.8 -43.11 97.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.211 0.914 . . . . 0.0 111.075 171.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.2 mm -57.66 -47.16 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.19 0.905 . . . . 0.0 108.853 175.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -56.02 -50.05 71.97 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.056 0.543 . . . . 0.0 111.412 173.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.525 ' HE3' ' HA ' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -59.71 -41.26 90.39 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 119.957 -1.714 . . . . 0.0 112.555 178.8 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.79 -7.52 16.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.901 1.681 . . . . 0.0 112.337 172.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 51.9 t30 59.58 26.23 15.23 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.549 1.94 . . . . 0.0 112.041 -173.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -91.01 -8.04 50.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.561 1.945 . . . . 0.0 112.907 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-N 119.593 1.088 . . . . 0.0 108.279 179.351 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.422 ' HG3' ' HA ' ' A' ' 127' ' ' TRP . 3.8 mt-30 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -50.95 -59.58 4.0 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 126.543 1.937 . . . . 0.0 111.138 -173.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.51 HG22 ' CD1' ' A' ' 8' ' ' LEU . 1.2 p -62.04 -45.05 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 124.381 1.072 . . . . 0.0 110.731 176.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -36.89 46.66 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -61.89 -50.2 73.17 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -54.8 -39.66 68.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 124.351 1.06 . . . . 0.0 112.497 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.51 ' CD1' HG22 ' A' ' 4' ' ' VAL . 4.8 mp -60.49 -55.49 32.83 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -60.78 -32.54 71.87 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.612 0.765 . . . . 0.0 110.98 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.56 -54.93 15.76 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.919 1.688 . . . . 0.0 108.139 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -77.51 -23.92 50.15 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.592 -172.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.405 ' HA ' HD11 ' A' ' 59' ' ' LEU . 54.1 t80 -57.79 -56.89 16.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.118 1.367 . . . . 0.0 108.831 165.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.29 36.93 1.54 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.897 0.76 . . . . 0.0 114.013 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -80.07 -65.75 0.97 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.217 1.508 . . . . 0.0 109.422 170.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.77 14.54 0.1 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -172.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.3 tp -61.07 -46.11 91.98 Favored 'General case' 0 C--O 1.224 -0.258 0 O-C-N 120.768 -1.207 . . . . 0.0 110.605 -174.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 20' ' ' LYS . 4.2 t70 -69.12 -30.0 68.18 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.27 -59.11 5.92 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 168.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.5 m -52.43 -38.22 58.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.974 0.91 . . . . 0.0 112.42 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 10.2 mtpm? -57.71 -56.02 27.36 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.531 1.133 . . . . 0.0 110.432 176.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.256 0.1 OUTLIER -63.09 -40.53 97.92 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 125.67 1.588 . . . . 0.0 109.058 -178.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -59.58 -51.51 69.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.016 1.326 . . . . 0.0 110.734 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.3 mtp -108.1 2.3 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.26 0.624 . . . . 0.0 111.512 -161.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.6 m 51.71 77.17 0.15 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 126.681 1.992 . . . . 0.0 109.355 -167.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.5 mt -112.47 136.39 52.03 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -73.69 169.54 17.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 122.666 1.222 . . . . 0.0 109.853 -173.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.77 -17.21 64.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.545 174.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -10.47 45.49 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.467 HG22 HG22 ' A' ' 48' ' ' THR . 2.3 pt -80.59 -24.39 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 117.753 -1.118 . . . . 0.0 110.139 175.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -56.44 -40.81 75.39 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 119.486 1.039 . . . . 0.0 108.677 170.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.76 -56.63 19.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 115.916 -1.992 . . . . 0.0 109.287 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.451 ' CB ' HG21 ' A' ' 48' ' ' THR . 1.0 OUTLIER -48.99 -56.52 8.67 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.655 1.116 . . . . 0.0 107.991 178.306 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -60.95 -26.55 67.59 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -81.23 -43.73 18.81 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.697 1.599 . . . . 0.0 111.491 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -95.53 2.88 54.51 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.211 1.405 . . . . 0.0 112.941 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -48.16 -41.58 27.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.749 2.019 . . . . 0.0 110.503 -176.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -89.99 47.17 1.42 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.116 1.766 . . . . 0.0 112.569 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.64 166.78 11.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.63 1.172 . . . . 0.0 110.567 168.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -94.92 23.74 5.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.718 1.207 . . . . 0.0 113.98 -171.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.39 40.48 0.02 OUTLIER Glycine 0 CA--C 1.509 -0.293 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -91.31 141.79 28.4 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 167.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -126.48 137.45 53.39 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.402 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 79.3 mt -100.86 104.23 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 C-N-CA 129.98 3.312 . . . . 0.0 105.406 -161.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 9.9 mmpt? -124.35 -6.14 7.67 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.758 -173.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.515 ' HB3' HG23 ' A' ' 48' ' ' THR . 52.8 t-20 -74.85 108.08 7.36 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 120.453 1.479 . . . . 0.0 107.967 170.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -52.76 -27.87 19.73 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.936 1.244 . . . . 0.0 111.036 175.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -65.96 -26.1 67.42 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 117.726 -1.13 . . . . 0.0 111.22 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.515 HG23 ' HB3' ' A' ' 45' ' ' ASN 0.259 11.2 p -69.76 -41.15 75.57 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.253 1.388 . . . . 0.0 108.617 177.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.51 -56.44 7.25 Favored Glycine 0 C--N 1.341 0.856 0 C-N-CA 126.83 2.157 . . . . 0.0 112.226 169.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -34.98 75.48 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.419 -0.8 . . . . 0.0 113.07 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.02 79.43 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 119.705 1.139 . . . . 0.0 109.88 175.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.5 mt -52.56 -53.36 20.52 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.946 1.298 . . . . 0.0 108.336 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.7 ttp -58.54 -40.71 83.72 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.106 0.866 . . . . 0.0 112.304 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.4 t -63.16 -46.19 88.33 Favored 'General case' 0 C--N 1.338 0.097 0 O-C-N 121.606 -0.684 . . . . 0.0 110.609 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.5 mt -58.25 -50.17 74.54 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-O 118.65 -0.69 . . . . 0.0 109.15 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.6 m -50.35 -49.69 53.34 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.684 1.193 . . . . 0.0 112.043 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 m -52.94 -53.03 55.51 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.032 0.833 . . . . 0.0 111.028 169.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -65.2 -29.66 70.5 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.414 -0.803 . . . . 0.0 111.253 -171.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 12' ' ' PHE . 11.2 mt -88.66 5.46 43.03 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.843 1.657 . . . . 0.0 110.824 175.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.85 38.01 1.7 Allowed 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.907 2.483 . . . . 0.0 112.815 168.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.7 mtt -93.01 17.81 10.17 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.094 -1.004 . . . . 0.0 112.053 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.2 mt . . . . . 0 CA--C 1.517 -0.296 0 CA-C-N 120.624 1.556 . . . . 0.0 109.704 -179.807 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.409 HD22 ' CD2' ' A' ' 70' ' ' HIS . 0.6 OUTLIER . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 122.487 1.137 . . . . 0.0 113.25 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.56 76.99 1.47 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 170.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.409 ' CD2' HD22 ' A' ' 68' ' ' LEU . 51.8 m80 -55.88 -33.65 64.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.091 0.956 . . . . 0.0 110.651 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -47.76 -61.36 4.81 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.133 1.349 . . . . 0.0 112.555 166.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -74.84 -31.26 61.61 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.658 -0.907 . . . . 0.0 112.491 -175.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.25 -41.3 65.31 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.022 1.329 . . . . 0.0 111.05 168.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.6 ttm -69.27 -39.94 78.08 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 118.824 0.738 . . . . 0.0 111.558 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -56.18 -46.28 79.44 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 118.951 0.796 . . . . 0.0 109.001 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.34 -42.91 74.46 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.621 0.646 . . . . 0.0 110.179 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 -60.88 2.9 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 123.282 0.633 . . . . 0.0 110.007 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 mppp? -61.15 -34.79 75.58 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.472 0.578 . . . . 0.0 111.057 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -56.77 -36.27 69.64 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.246 1.819 . . . . 0.0 111.861 174.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -90.0 -5.27 56.83 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 117.761 -1.114 . . . . 0.0 113.295 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.19 1.98 20.23 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 119.593 1.088 . . . . 0.0 114.944 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.71 150.06 49.11 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 119.131 1.465 . . . . 0.0 112.249 -167.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.453 ' H ' ' HE2' ' A' ' 86' ' ' MET . 0.0 OUTLIER -69.0 167.89 14.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 114.433 -1.258 . . . . 0.0 108.8 170.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -61.24 1.85 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.286 1.435 . . . . 0.0 111.612 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.2 m -62.12 -30.01 70.73 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 118.592 0.633 . . . . 0.0 109.501 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.66 ' O ' HD22 ' A' ' 90' ' ' LEU . 1.9 ttp -60.1 -66.23 0.55 Allowed 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 171.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.84 -34.83 55.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 119.613 1.097 . . . . 0.0 112.804 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -48.89 72.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 117.767 -1.111 . . . . 0.0 110.873 172.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -50.29 -54.12 23.66 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 125.804 1.641 . . . . 0.0 110.559 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 86' ' ' MET . 2.5 mm? -56.97 -40.16 75.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 117.03 -1.462 . . . . 0.0 111.809 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.94 -47.2 77.08 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 CA-C-O 117.27 -1.347 . . . . 0.0 109.938 175.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.41 -36.18 77.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 120.907 1.685 . . . . 0.0 110.647 -172.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 58.4 mt -72.79 -47.68 48.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.144 0.977 . . . . 0.0 109.495 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.402 ' CG1' HD13 ' A' ' 68' ' ' LEU . 28.6 t -64.56 -56.57 15.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 124.332 1.053 . . . . 0.0 110.044 -177.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -51.12 -40.67 59.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.958 1.703 . . . . 0.0 108.417 173.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.4 -1.38 64.79 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 127.802 2.62 . . . . 0.0 115.153 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.9 m -122.32 -26.28 4.67 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.198 1.999 . . . . 0.0 111.729 170.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -21.49 3.14 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.94 2.155 . . . . 0.0 113.556 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.03 -46.31 2.09 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 120.456 -1.402 . . . . 0.0 110.081 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -46.09 68.51 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 124.546 1.138 . . . . 0.0 112.044 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.2 m -68.59 115.07 26.52 Favored Pre-proline 0 N--CA 1.447 -0.58 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -73.25 154.91 51.79 Favored 'Trans proline' 0 N--CA 1.445 -1.382 0 C-N-CA 121.815 1.677 . . . . 0.0 108.854 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -160.19 170.95 20.09 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 124.919 1.288 . . . . 0.0 108.226 166.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -171.9 0.57 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 168.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.48 -15.85 1.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.131 0.972 . . . . 0.0 112.787 163.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -74.19 92.23 2.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -171.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -54.23 -27.92 37.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.533 1.133 . . . . 0.0 113.943 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 50.3 m -61.58 -52.07 65.95 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 119.256 0.935 . . . . 0.0 109.146 171.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.499 ' HA ' HD23 ' A' ' 112' ' ' LEU . 15.7 mm -56.25 -52.24 53.84 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 125.496 1.518 . . . . 0.0 109.173 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -46.71 -66.95 0.33 Allowed 'General case' 0 N--CA 1.437 -1.125 0 C-N-CA 125.719 1.608 . . . . 0.0 111.692 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.8 m -58.86 -35.16 72.51 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 124.057 0.848 . . . . 0.0 111.939 -176.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 109' ' ' ILE . 0.1 OUTLIER -53.25 -47.47 69.04 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.208 1.003 . . . . 0.0 110.392 172.198 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.97 -39.83 84.74 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 118.715 -1.047 . . . . 0.0 112.137 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.02 -43.21 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 118.674 1.237 . . . . 0.0 108.548 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.79 90.8 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.064 -1.022 . . . . 0.0 111.934 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 94.3 m -70.14 -39.03 75.62 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 118.21 -0.9 . . . . 0.0 112.517 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 16.1 p -65.76 -49.99 66.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.771 1.169 . . . . 0.0 108.904 173.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -54.32 -45.94 72.74 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.782 1.633 . . . . 0.0 111.014 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -47.9 -53.11 16.82 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.289 1.035 . . . . 0.0 110.128 175.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.01 -40.88 77.49 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.281 0.491 . . . . 0.0 110.563 -176.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -58.59 -42.66 88.57 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.98 0.809 . . . . 0.0 111.075 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.36 -41.68 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.219 0.607 . . . . 0.0 110.016 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -59.74 -52.6 64.81 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.564 173.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -53.77 -42.84 68.68 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.676 1.126 . . . . 0.0 111.89 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.99 -5.06 28.21 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.511 1.124 . . . . 0.0 112.632 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 36.3 t30 45.59 50.61 10.45 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 126.547 1.939 . . . . 0.0 110.846 -168.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.422 ' HA ' ' HG3' ' A' ' 2' ' ' GLN . 36.7 m0 -95.28 1.5 54.51 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.712 174.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 C-N-CA 125.809 1.643 . . . . 0.0 108.731 167.139 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.371 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.57 -42.05 67.15 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.748 1.219 . . . . 0.0 111.907 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.1 t -70.73 -34.77 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 123.706 0.802 . . . . 0.0 109.55 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -49.82 72.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.648 1.113 . . . . 0.0 108.631 172.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -57.69 -51.57 68.97 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 125.003 1.321 . . . . 0.0 110.275 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.48 -43.68 93.42 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 125.328 1.451 . . . . 0.0 112.232 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.29 -53.05 60.99 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 174.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -59.02 -35.96 74.16 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.18 0.592 . . . . 0.0 111.976 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.1 tp -65.75 -50.45 64.73 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 124.233 1.013 . . . . 0.0 108.728 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -77.45 -34.34 54.47 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.885 -172.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.45 ' HA ' HD11 ' A' ' 59' ' ' LEU . 62.8 t80 -53.79 -51.72 62.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.18 1.392 . . . . 0.0 109.45 167.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.41 1.88 18.01 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 117.654 -1.637 . . . . 0.0 115.588 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -58.51 -60.55 3.62 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.526 2.163 . . . . 0.0 110.616 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.29 8.56 0.43 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.308 1.043 . . . . 0.0 113.805 -175.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.83 -47.04 87.34 Favored 'General case' 0 C--O 1.221 -0.409 0 O-C-N 120.775 -1.203 . . . . 0.0 110.766 -173.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.19 -34.23 76.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.594 1.558 . . . . 0.0 111.05 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.49 -52.89 41.27 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 173.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.2 m -56.41 -37.74 70.58 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.34 1.056 . . . . 0.0 111.819 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.465 ' HE2' ' OD1' ' A' ' 27' ' ' ASP . 17.0 mttp -58.79 -39.18 80.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.145 1.378 . . . . 0.0 111.673 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -90.73 -31.0 16.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.795 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.01 -46.59 71.84 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.901 1.228 . . . . 0.0 110.269 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mtp -117.32 3.72 12.57 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.772 0.829 . . . . 0.0 111.544 -162.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m 50.38 73.85 0.25 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.614 1.565 . . . . 0.0 110.769 -171.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 mt -112.84 129.88 56.29 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.1 p -68.62 167.23 15.55 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 125.211 1.404 . . . . 0.0 110.742 -167.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.465 ' OD1' ' HE2' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -79.44 -10.75 59.87 Favored 'General case' 0 C--N 1.333 -0.115 0 O-C-N 121.006 -1.059 . . . . 0.0 111.476 178.024 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.03 -30.93 60.59 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.888 1.275 . . . . 0.0 111.498 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.42 HG22 HG22 ' A' ' 48' ' ' THR . 2.8 pt -65.31 -23.56 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 O-C-N 121.756 -0.59 . . . . 0.0 112.047 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -62.88 -31.7 72.8 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.874 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.67 -11.96 59.92 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.013 -0.994 . . . . 0.0 112.359 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -74.65 -70.51 0.4 Allowed 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 158.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -52.63 -25.65 11.34 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -173.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -72.72 -58.23 3.51 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.706 1.602 . . . . 0.0 109.766 172.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -88.45 11.14 17.8 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.539 1.536 . . . . 0.0 112.028 -173.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -53.58 -35.82 61.24 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.843 -1.161 . . . . 0.0 109.268 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -100.04 31.14 3.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.354 1.462 . . . . 0.0 113.665 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -71.5 169.03 16.28 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 119.422 -2.048 . . . . 0.0 109.269 165.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -77.19 91.16 3.72 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 126.247 1.819 . . . . 0.0 106.796 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.41 12.92 77.57 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-O 118.443 -1.199 . . . . 0.0 114.28 169.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -60.09 139.69 57.33 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.735 1.767 . . . . 0.0 109.072 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -113.06 155.78 24.28 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-O 122.842 1.306 . . . . 0.0 110.647 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt -132.0 117.13 32.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 127.7 2.4 . . . . 0.0 105.469 -160.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.89 -17.09 1.09 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -53.2 110.39 0.54 Allowed 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 125.269 1.427 . . . . 0.0 108.684 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 32.9 ttp85 -57.13 -26.12 59.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.377 0.989 . . . . 0.0 109.637 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -58.08 -37.33 74.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.548 1.139 . . . . 0.0 111.812 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.42 HG22 HG22 ' A' ' 29' ' ' ILE . 8.1 p -72.94 -41.66 64.24 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -175.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.68 -42.51 96.3 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -37.3 74.18 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.511 0.656 . . . . 0.0 111.725 175.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.01 -48.06 79.38 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.187 0.903 . . . . 0.0 110.338 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.0 mt -55.0 -51.68 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 124.999 1.32 . . . . 0.0 109.165 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -59.44 -38.34 80.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.419 0.687 . . . . 0.0 112.063 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.2 t -64.99 -46.16 82.6 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.119 0.568 . . . . 0.0 110.789 173.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.447 HD22 ' O ' ' A' ' 12' ' ' PHE . 89.6 mt -60.14 -49.64 76.83 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.175 0.898 . . . . 0.0 109.597 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.0 m -53.94 -47.56 71.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.969 0.804 . . . . 0.0 111.418 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.8 m -52.77 -55.64 21.39 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.681 0.673 . . . . 0.0 110.913 173.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -64.83 -17.94 64.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.584 -0.698 . . . . 0.0 111.678 -171.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.45 HD11 ' HA ' ' A' ' 12' ' ' PHE . 23.2 mt -97.0 12.21 33.31 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.302 1.441 . . . . 0.0 110.83 176.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 53.03 34.42 17.04 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 129.132 2.973 . . . . 0.0 112.344 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.403 ' SD ' ' HA ' ' A' ' 73' ' ' ALA . 67.0 mtm -83.74 -1.61 54.53 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.187 -0.946 . . . . 0.0 112.351 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 C--O 1.235 0.29 0 CA-C-N 120.047 1.294 . . . . 0.0 108.374 171.362 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.639 0.733 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -66.53 93.09 0.22 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.075 1.35 . . . . 0.0 109.138 172.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -42.35 -50.02 5.09 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.533 1.133 . . . . 0.0 110.55 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.16 -71.04 0.71 Allowed Glycine 0 C--N 1.338 0.657 0 C-N-CA 125.374 1.464 . . . . 0.0 112.539 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -74.75 -25.86 59.38 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.391 -169.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.403 ' HA ' ' SD ' ' A' ' 61' ' ' MET . . . -56.76 -46.6 81.34 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.156 0.982 . . . . 0.0 110.413 168.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.4 ttm -69.86 -42.25 73.78 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.124 0.97 . . . . 0.0 110.929 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.65 -53.24 58.94 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 124.059 0.944 . . . . 0.0 109.275 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.15 -44.23 67.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.8 0.84 . . . . 0.0 110.314 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.74 -63.61 1.18 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.543 0.61 . . . . 0.0 111.267 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -27.66 68.04 Favored 'General case' 0 N--CA 1.461 0.088 0 O-C-N 120.96 -1.087 . . . . 0.0 113.067 -172.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -52.01 -44.06 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 126.852 2.061 . . . . 0.0 109.792 170.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.05 3.66 25.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.932 0.893 . . . . 0.0 112.154 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.04 25.44 44.79 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 120.726 -1.234 . . . . 0.0 112.508 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.08 151.99 46.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.26 -1.141 . . . . 0.0 110.734 175.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.39 159.16 34.46 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -49.22 74.27 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.606 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 87.6 m -55.98 -49.83 72.51 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 118.758 0.708 . . . . 0.0 109.852 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.1 ttt -56.23 -47.39 78.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.256 1.022 . . . . 0.0 111.015 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.85 85.67 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.832 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -49.96 75.34 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 172.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -63.27 -35.86 81.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.622 1.169 . . . . 0.0 113.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.4 mt -69.4 -4.42 18.36 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.603 1.161 . . . . 0.0 111.906 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.97 -50.46 8.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 117.468 -1.253 . . . . 0.0 109.525 159.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.06 -42.11 79.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 120.916 1.689 . . . . 0.0 111.445 -169.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 53.7 mt -70.7 -38.28 72.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.949 0.9 . . . . 0.0 109.749 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.5 t -73.5 -65.98 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.109 0 C-N-CA 125.101 1.36 . . . . 0.0 108.594 -175.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -47.69 -38.15 14.5 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.126 2.57 . . . . 0.0 109.59 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.82 -67.17 2.32 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 125.013 1.292 . . . . 0.0 110.413 173.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.439 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 1.6 m -54.97 -26.42 36.43 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 117.102 -1.427 . . . . 0.0 112.749 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -49.98 -28.7 7.27 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 122.368 2.349 . . . . 0.0 113.5 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.06 -29.49 2.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 124.682 1.193 . . . . 0.0 112.339 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.439 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . 27.0 m -64.25 -13.97 52.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.885 0.874 . . . . 0.0 112.956 169.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.0 m -111.78 114.73 51.79 Favored Pre-proline 0 C--O 1.238 0.494 0 C-N-CA 124.231 1.012 . . . . 0.0 108.49 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.01 140.57 31.62 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.595 2.197 . . . . 0.0 108.16 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -157.99 164.7 36.52 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 170.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.467 HD21 HG21 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -59.78 165.27 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.533 0.682 . . . . 0.0 109.896 160.043 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -0.76 0.67 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.351 1.86 . . . . 0.0 113.252 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -72.29 91.53 1.33 Allowed 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.543 1.137 . . . . 0.0 108.027 176.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.528 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -49.54 -30.22 8.15 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 126.614 1.966 . . . . 0.0 113.111 178.76 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 19.1 m -60.8 -57.15 13.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 173.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.467 HG21 HD21 ' A' ' 104' ' ' ASN . 1.1 mt -64.43 -43.76 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.925 0.89 . . . . 0.0 110.668 -175.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.528 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 32.1 t90 -53.36 -58.72 6.1 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 124.471 1.109 . . . . 0.0 110.831 174.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.2 m -62.58 -33.03 74.14 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.471 0.578 . . . . 0.0 111.071 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.484 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -50.86 -53.76 29.63 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 124.41 1.084 . . . . 0.0 109.846 167.11 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.19 -48.96 83.4 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-O 118.526 -1.152 . . . . 0.0 111.257 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.49 -49.82 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.935 1.294 . . . . 0.0 109.122 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.69 95.82 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.26 -0.9 . . . . 0.0 111.364 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.9 m -65.94 -47.4 74.79 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.482 0.713 . . . . 0.0 111.135 -176.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.0 p -63.12 -49.1 75.73 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 119.102 0.865 . . . . 0.0 110.017 176.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -52.62 -44.94 66.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.291 1.036 . . . . 0.0 111.028 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -49.78 -53.07 27.35 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.943 1.297 . . . . 0.0 110.393 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.45 -30.43 66.93 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.394 0.543 . . . . 0.0 112.296 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -72.28 -35.78 68.8 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.093 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 13.8 mm -58.65 -42.26 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 120.301 1.409 . . . . 0.0 109.832 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -59.33 -50.22 74.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.683 0.793 . . . . 0.0 109.919 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -63.93 -36.55 84.3 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.96 -1.087 . . . . 0.0 112.08 -178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.479 HD13 ' CZ3' ' A' ' 127' ' ' TRP . 34.0 mt -74.18 -2.89 26.67 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.09 0.956 . . . . 0.0 111.841 176.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 59.9 t30 58.61 31.97 21.65 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.411 1.484 . . . . 0.0 111.385 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.479 ' CZ3' HD13 ' A' ' 125' ' ' LEU . 33.1 m0 -94.03 12.0 27.82 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.09 1.356 . . . . 0.0 110.521 170.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 127.1 2.16 . . . . 0.0 108.378 176.518 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? . . . . . 0 CA--C 1.533 0.319 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -52.53 -53.62 43.74 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.716 2.006 . . . . 0.0 110.268 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 8' ' ' LEU . 68.4 t -59.63 -49.02 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.7 tpt -53.45 -41.79 66.47 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 119.268 0.94 . . . . 0.0 110.17 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -59.45 -48.15 82.76 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 119.257 0.935 . . . . 0.0 109.872 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -55.5 -37.66 68.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.997 1.319 . . . . 0.0 111.294 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.542 ' CD1' HG12 ' A' ' 4' ' ' VAL . 3.8 mp -67.03 -48.3 68.79 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.116 0.967 . . . . 0.0 110.227 176.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 t -56.48 -42.39 78.2 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.389 1.076 . . . . 0.0 109.94 176.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.47 -49.82 72.14 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 126.921 2.088 . . . . 0.0 107.216 -176.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.18 -41.45 66.99 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.702 -1.135 . . . . 0.0 112.661 -173.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.08 -43.74 82.41 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.36 14.34 8.98 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-O 117.193 -1.893 . . . . 0.0 115.623 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -54.25 -63.92 1.0 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 120.984 2.392 . . . . 0.0 109.419 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.73 25.99 0.33 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.687 1.195 . . . . 0.0 113.231 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.62 -51.15 69.66 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 120.622 -1.298 . . . . 0.0 110.743 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.61 -35.61 80.09 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.85 0.86 . . . . 0.0 111.626 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.62 -59.43 5.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 171.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.7 m -56.41 -31.87 64.31 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -63.56 -57.03 11.44 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.015 0.926 . . . . 0.0 110.087 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.78 -38.97 92.74 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 118.575 0.625 . . . . 0.0 111.18 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.81 -33.0 66.28 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.86 1.264 . . . . 0.0 112.576 -177.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.4 mtm -125.42 -2.38 7.46 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -170.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.1 m 50.18 83.54 0.04 OUTLIER 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.592 1.157 . . . . 0.0 109.8 -156.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.1 mt -108.63 151.17 26.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 163.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -75.45 161.02 29.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.114 -169.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.17 -18.54 61.25 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.766 -0.584 . . . . 0.0 109.426 171.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.08 -23.68 63.99 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.802 1.641 . . . . 0.0 113.2 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 pt -64.56 -23.63 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 CA-C-N 119.727 1.148 . . . . 0.0 111.113 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -55.55 -36.7 67.08 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.026 171.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.18 -40.48 78.09 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.005 0.922 . . . . 0.0 111.423 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.539 ' CB ' HG21 ' A' ' 48' ' ' THR . 0.2 OUTLIER -68.1 -43.77 77.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 118.68 0.673 . . . . 0.0 109.682 -179.614 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -66.64 -42.33 86.86 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.97 0.908 . . . . 0.0 111.057 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.7 -39.41 91.38 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.33 1.052 . . . . 0.0 111.125 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -95.93 13.82 25.59 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.404 1.082 . . . . 0.0 111.979 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -61.01 -29.89 69.98 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 119.959 -1.713 . . . . 0.0 110.278 -177.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -105.16 28.62 7.09 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.028 1.331 . . . . 0.0 114.031 174.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -68.15 174.19 4.09 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 121.066 -1.021 . . . . 0.0 108.344 157.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.02 25.29 2.89 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -164.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.22 17.45 0.53 Allowed Glycine 0 CA--C 1.524 0.653 0 O-C-N 121.093 -1.004 . . . . 0.0 111.867 -171.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -54.49 139.24 38.28 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.022 0.929 . . . . 0.0 109.389 167.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -107.87 140.06 41.54 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 122.352 1.072 . . . . 0.0 112.985 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.9 mt -112.11 104.68 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 C-N-CA 128.87 2.868 . . . . 0.0 103.622 -161.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -131.98 -9.44 3.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.779 0.718 . . . . 0.0 112.839 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.639 ' HB3' HG23 ' A' ' 48' ' ' THR . 4.7 t-20 -64.27 104.3 0.74 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.685 1.194 . . . . 0.0 108.251 169.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.0 ttm105 -57.64 -29.74 64.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.966 0.907 . . . . 0.0 110.406 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.45 -24.03 66.37 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.388 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 45' ' ' ASN . 6.1 p -71.01 -44.16 66.47 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 119.931 1.241 . . . . 0.0 108.805 174.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.4 -53.92 14.61 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.011 1.291 . . . . 0.0 111.246 171.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -31.07 69.33 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.572 -0.958 . . . . 0.0 113.452 177.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.63 93.03 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 119.639 1.109 . . . . 0.0 110.137 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.03 -46.91 87.91 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 C-N-CA 124.425 1.09 . . . . 0.0 108.711 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -60.21 -47.95 83.79 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.159 0.891 . . . . 0.0 111.956 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -58.54 -47.11 85.28 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.691 -0.631 . . . . 0.0 110.889 175.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.1 mt -60.18 -48.87 79.91 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.207 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.45 -43.63 55.23 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.73 1.15 . . . . 0.0 110.216 176.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 m -53.98 -54.43 39.15 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -72.44 -13.72 61.51 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.654 1.182 . . . . 0.0 113.928 -169.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -80.7 -0.67 39.33 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.405 1.457 . . . . 0.0 111.248 165.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 t30 58.56 30.31 19.63 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 127.668 2.387 . . . . 0.0 111.58 -164.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.8 mtp -79.94 2.95 21.52 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.497 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.45 -0.442 0 C-N-CA 125.06 1.344 . . . . 0.0 107.911 -172.497 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 C--O 1.234 0.251 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -95.34 95.02 8.19 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 128.399 2.68 . . . . 0.0 107.803 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -57.84 -28.51 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.153 0.981 . . . . 0.0 112.385 -173.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.32 -64.28 4.51 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 125.645 1.593 . . . . 0.0 113.414 169.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -65.5 -30.12 70.85 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.614 0.721 . . . . 0.0 109.791 -177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.28 -41.12 97.04 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.182 -0.949 . . . . 0.0 112.312 174.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 24.0 ttm -72.06 -34.65 68.9 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 119.298 0.954 . . . . 0.0 111.573 173.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -57.31 -48.13 79.73 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -51.72 -45.74 63.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.846 1.258 . . . . 0.0 111.144 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.34 -60.55 3.24 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.256 1.022 . . . . 0.0 110.13 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -31.5 69.95 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 119.219 -0.42 . . . . 0.0 110.219 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -56.65 -51.42 68.79 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 126.087 1.755 . . . . 0.0 111.376 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -72.49 -17.83 61.72 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 117.408 -1.282 . . . . 0.0 113.324 -171.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.33 8.51 19.26 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 120.155 1.343 . . . . 0.0 111.968 -171.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.26 167.13 12.88 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 118.881 1.341 . . . . 0.0 109.32 178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.83 167.51 10.88 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -63.08 1.33 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.912 1.685 . . . . 0.0 111.152 -174.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 83.3 m -67.5 -23.43 65.47 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.104 0.411 . . . . 0.0 110.415 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.623 ' O ' HD22 ' A' ' 90' ' ' LEU . 6.2 ttt -61.78 -57.76 10.63 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 169.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.26 79.85 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 119.719 -1.863 . . . . 0.0 112.444 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -73.35 -21.88 60.43 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 117.59 -1.195 . . . . 0.0 112.07 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -65.57 -58.9 4.65 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 120.546 1.521 . . . . 0.0 109.109 166.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.623 HD22 ' O ' ' A' ' 86' ' ' MET . 2.1 mm? -55.69 -41.53 73.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 119.74 1.154 . . . . 0.0 111.968 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.55 -28.02 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 116.7 -1.619 . . . . 0.0 110.933 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.87 -50.07 70.27 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 122.492 2.405 . . . . 0.0 109.866 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.3 mt -67.38 -49.75 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 125.316 1.447 . . . . 0.0 108.29 -174.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.422 HG23 ' CE1' ' A' ' 118' ' ' PHE . 54.9 t -64.71 -51.8 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.764 -178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.402 ' CD2' ' HE3' ' A' ' 99' ' ' LYS . 13.9 t-160 -56.23 -35.75 67.71 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.62 -68.86 1.48 Allowed Glycine 0 C--N 1.341 0.818 0 C-N-CA 125.945 1.736 . . . . 0.0 112.0 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 33.2 m -46.6 -41.53 14.69 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 116.319 -1.801 . . . . 0.0 111.423 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -50.37 -28.98 8.99 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 121.869 2.122 . . . . 0.0 112.445 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.402 ' HE3' ' CD2' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -100.72 -58.92 1.8 Allowed 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 125.287 1.435 . . . . 0.0 109.541 175.027 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.02 -38.09 78.45 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.463 1.105 . . . . 0.0 112.315 -168.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.4 m -61.09 114.8 11.57 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.09 137.4 21.47 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 122.14 1.893 . . . . 0.0 107.359 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -145.87 -176.75 5.26 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.515 0.674 . . . . 0.0 110.794 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -119.1 176.4 5.32 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.807 1.643 . . . . 0.0 107.358 162.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -3.11 11.95 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.887 0.875 . . . . 0.0 112.599 -171.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.57 97.37 0.78 Allowed 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 166.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -59.59 -22.16 61.38 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.847 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 18.5 m -55.87 -53.51 55.91 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 118.093 -0.956 . . . . 0.0 109.148 168.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.7 mm -67.73 -48.07 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 C-N-CA 125.738 1.615 . . . . 0.0 110.957 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -50.38 -60.24 3.2 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 118.703 0.683 . . . . 0.0 110.72 175.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.7 m -64.34 -31.29 72.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.319 0.963 . . . . 0.0 111.382 -177.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -54.81 31.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.729 1.212 . . . . 0.0 110.122 171.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.27 -45.22 95.67 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.644 -0.983 . . . . 0.0 110.644 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.1 t -57.82 -47.38 86.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 123.641 0.777 . . . . 0.0 109.371 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.8 95.09 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.856 -0.528 . . . . 0.0 111.012 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.1 m -72.43 -33.54 67.17 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 117.885 -1.055 . . . . 0.0 112.118 -173.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.5 p -67.52 -54.29 21.32 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.55 1.523 . . . . 0.0 108.585 170.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.422 ' CE1' HG23 ' A' ' 94' ' ' VAL . 80.7 t80 -51.74 -47.93 63.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.924 1.29 . . . . 0.0 112.412 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -49.23 -50.65 37.55 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.458 1.027 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.53 68.33 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -70.6 -41.08 72.79 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.275 1.03 . . . . 0.0 110.535 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 8.0 mm -57.93 -39.59 72.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.736 0.814 . . . . 0.0 109.128 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -63.48 -39.93 95.75 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.224 0.609 . . . . 0.0 111.402 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -66.66 -35.19 79.56 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.772 -0.58 . . . . 0.0 111.024 176.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.82 -11.15 59.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.778 1.231 . . . . 0.0 111.36 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 66.54 22.85 10.52 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 128.543 2.737 . . . . 0.0 112.67 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -82.25 29.09 0.43 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.267 -1.521 . . . . 0.0 113.749 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 117.804 -1.093 . . . . 0.0 109.183 160.281 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 . . . . . 0 N--CA 1.469 0.484 0 CA-C-O 119.353 -0.356 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -51.47 -52.17 48.76 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.042 0.937 . . . . 0.0 110.54 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.1 t -58.72 -46.52 90.56 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 124.037 0.935 . . . . 0.0 109.837 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 tpt -64.69 -36.47 84.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 119.468 1.031 . . . . 0.0 110.751 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -66.78 -47.67 71.41 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.386 1.074 . . . . 0.0 110.043 171.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -63.24 -32.49 73.9 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 125.244 1.417 . . . . 0.0 112.586 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.06 -49.92 76.05 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.568 1.147 . . . . 0.0 108.021 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.9 m -62.83 -30.87 71.81 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -66.13 -49.59 66.92 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -81.83 -29.17 32.73 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.819 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.24 -55.62 32.68 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.955 0.902 . . . . 0.0 108.736 170.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.81 34.92 1.42 Allowed Glycine 0 CA--C 1.525 0.7 0 CA-C-O 118.686 -1.063 . . . . 0.0 113.611 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -66.01 -72.98 0.14 Allowed 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 119.753 1.776 . . . . 0.0 108.209 166.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.9 26.26 0.06 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.21 1.404 . . . . 0.0 114.205 -169.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.58 -48.03 76.49 Favored 'General case' 0 C--O 1.223 -0.291 0 O-C-N 120.515 -1.365 . . . . 0.0 110.122 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -27.15 69.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.636 1.107 . . . . 0.0 111.174 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.23 -57.29 7.9 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 172.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.2 m -55.41 -37.78 68.07 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.855 0.862 . . . . 0.0 110.987 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -57.26 -59.32 5.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.424 1.489 . . . . 0.0 110.507 175.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -45.46 88.37 Favored 'General case' 0 N--CA 1.422 -1.874 0 C-N-CA 125.246 1.419 . . . . 0.0 109.263 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -43.02 98.76 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.264 1.026 . . . . 0.0 111.487 -173.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 45.3 mtp -112.1 -1.84 15.18 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 124.108 0.963 . . . . 0.0 111.746 -164.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.1 m 51.63 86.05 0.04 OUTLIER 'General case' 0 C--O 1.237 0.425 0 C-N-CA 126.697 1.999 . . . . 0.0 110.157 -163.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.33 143.38 48.41 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 123.296 0.638 . . . . 0.0 109.583 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -81.34 161.91 23.63 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.084 1.354 . . . . 0.0 111.902 -167.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.35 -15.68 63.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.14 -0.975 . . . . 0.0 111.547 168.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.59 -16.58 26.51 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.534 -0.746 . . . . 0.0 112.996 168.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.66 -33.46 8.45 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 120.038 1.29 . . . . 0.0 110.791 168.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -68.08 -29.44 68.39 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.551 1.541 . . . . 0.0 109.014 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.7 -44.16 87.0 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.092 1.757 . . . . 0.0 111.869 163.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -63.04 -60.27 3.67 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 118.854 0.752 . . . . 0.0 109.179 -176.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -54.76 -25.86 30.56 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.127 1.771 . . . . 0.0 113.156 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -77.36 -57.66 3.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.357 0.663 . . . . 0.0 110.733 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -79.73 -0.02 32.47 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.714 1.205 . . . . 0.0 111.83 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -49.04 -44.57 41.74 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.201 1.4 . . . . 0.0 111.142 -167.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -83.15 29.79 0.47 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.599 1.56 . . . . 0.0 114.399 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -168.34 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.086 -1.634 . . . . 0.0 108.4 162.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -118.96 23.76 11.22 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.541 -1.35 . . . . 0.0 113.685 -168.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.97 30.35 0.03 OUTLIER Glycine 0 CA--C 1.523 0.564 0 C-N-CA 125.349 1.452 . . . . 0.0 110.298 -176.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.41 126.42 28.2 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -94.42 138.66 32.09 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 122.149 0.976 . . . . 0.0 110.799 165.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.53 HG22 ' CD1' ' A' ' 112' ' ' LEU . 33.0 mt -106.78 115.71 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 104.234 -2.506 . . . . 0.0 104.234 -178.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -126.61 -14.06 5.82 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.698 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -68.65 120.66 14.99 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.256 0.935 . . . . 0.0 109.444 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -54.33 -30.8 52.57 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.68 0.792 . . . . 0.0 109.868 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.63 -38.01 89.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.925 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 p -68.23 -44.72 75.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.445 1.02 . . . . 0.0 108.904 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.462 ' HA3' ' HB2' ' A' ' 112' ' ' LEU . . . -51.8 -46.0 54.9 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.334 0.968 . . . . 0.0 112.175 177.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.457 ' SG ' ' HE3' ' A' ' 53' ' ' MET . 0.0 OUTLIER -74.89 -33.9 62.12 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.542 177.378 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.25 77.12 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.837 1.199 . . . . 0.0 109.75 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.1 mt -53.83 -51.5 44.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.485 1.514 . . . . 0.0 108.812 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.457 ' HE3' ' SG ' ' A' ' 50' ' ' CYS . 5.7 ttm -57.62 -44.45 85.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.148 0.579 . . . . 0.0 112.221 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.1 t -60.37 -48.13 83.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.546 -0.721 . . . . 0.0 109.985 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.41 -41.45 84.98 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.197 0.599 . . . . 0.0 110.301 176.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.3 m -56.98 -51.68 68.25 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.055 0.843 . . . . 0.0 111.645 172.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 m -50.34 -49.11 54.97 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.451 1.478 . . . . 0.0 111.26 171.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -66.69 -10.97 52.02 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.547 -0.739 . . . . 0.0 112.541 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 mt -114.76 19.56 15.86 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.654 1.181 . . . . 0.0 110.361 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.5 t30 47.49 48.39 16.78 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 127.418 2.287 . . . . 0.0 109.843 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -97.96 10.13 41.05 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.284 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--O 1.235 0.335 0 CA-C-N 120.149 1.341 . . . . 0.0 108.269 170.381 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 120.63 0.252 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -76.66 84.68 3.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.969 0.908 . . . . 0.0 109.17 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.4 ' CD2' HG23 ' A' ' 91' ' ' ILE . 44.0 m80 -56.09 -33.94 65.55 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.053 1.341 . . . . 0.0 113.024 -178.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.65 -62.44 6.36 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -66.37 -24.3 66.47 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 124.21 1.004 . . . . 0.0 112.626 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.72 -51.16 44.48 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.922 1.289 . . . . 0.0 110.7 172.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.7 ttm -62.93 -36.75 84.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.063 0.545 . . . . 0.0 111.064 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -46.22 89.82 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 118.87 0.759 . . . . 0.0 109.967 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -56.49 -40.14 74.45 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.856 0.462 . . . . 0.0 111.026 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.99 -56.28 16.26 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.664 0.786 . . . . 0.0 110.659 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -29.24 69.64 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.466 -0.771 . . . . 0.0 111.984 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -54.86 -42.35 71.92 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 125.391 1.477 . . . . 0.0 111.414 170.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -78.66 -5.13 52.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.255 0.622 . . . . 0.0 112.174 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.32 28.51 57.82 Favored Glycine 0 CA--C 1.524 0.602 0 O-C-N 121.056 -1.027 . . . . 0.0 111.748 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 140.15 58.25 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.46 1.13 . . . . 0.0 108.822 165.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.5 162.34 15.53 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 123.493 0.495 . . . . 0.0 109.858 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.17 -53.96 50.43 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 118.775 -0.631 . . . . 0.0 111.454 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.8 m -62.88 -34.58 77.7 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 118.684 0.675 . . . . 0.0 110.803 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.404 ' O ' HD22 ' A' ' 90' ' ' LEU . 6.1 ttt -59.89 -58.18 9.66 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.46 74.26 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.548 -0.72 . . . . 0.0 111.752 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -61.04 -46.19 91.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 117.89 -1.052 . . . . 0.0 109.151 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -57.55 -54.06 51.15 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.427 1.491 . . . . 0.0 111.31 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.404 HD22 ' O ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -55.52 -45.06 77.17 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 120.766 1.621 . . . . 0.0 112.642 178.707 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.4 HG23 ' CD2' ' A' ' 70' ' ' HIS . 1.7 mp -67.45 -43.14 87.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 CA-C-N 119.909 1.231 . . . . 0.0 109.85 175.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.3 -43.82 79.29 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 121.108 1.776 . . . . 0.0 111.127 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.52 -48.39 35.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.884 1.274 . . . . 0.0 109.733 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.459 HG23 ' CE1' ' A' ' 118' ' ' PHE . 41.1 t -58.9 -59.89 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 119.82 1.191 . . . . 0.0 108.811 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -53.96 -25.4 20.52 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.336 1.855 . . . . 0.0 109.821 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -76.19 -62.43 2.6 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 126.64 2.067 . . . . 0.0 111.568 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.58 -29.64 64.62 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 116.434 -1.746 . . . . 0.0 110.296 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -49.29 -27.88 4.26 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 121.951 2.16 . . . . 0.0 113.522 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 -37.52 4.43 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.222 1.009 . . . . 0.0 111.318 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 m -68.75 -22.75 64.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.625 1.17 . . . . 0.0 113.561 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.5 m -91.81 116.39 66.37 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 118.595 0.634 . . . . 0.0 110.117 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.99 133.64 21.93 Favored 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 122.718 2.279 . . . . 0.0 109.052 174.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -161.42 176.73 10.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 129.098 2.959 . . . . 0.0 107.108 170.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.48 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 0.8 OUTLIER -74.02 -169.82 0.82 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.296 0.569 . . . . 0.0 109.706 172.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.8 -3.43 18.84 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.677 0.791 . . . . 0.0 112.8 162.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.48 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 50.2 t0 -71.06 93.56 1.04 Allowed 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -32.65 37.57 Favored 'General case' 0 C--O 1.227 -0.098 0 C-N-CA 124.896 1.279 . . . . 0.0 110.663 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 22.5 m -60.12 -54.73 42.5 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 119.474 1.034 . . . . 0.0 109.622 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.5 mt -64.91 -41.16 91.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 125.183 1.393 . . . . 0.0 109.685 -173.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -57.48 -61.62 2.36 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.082 1.753 . . . . 0.0 111.945 172.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.0 m -59.59 -34.03 72.21 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.848 1.204 . . . . 0.0 111.666 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.53 ' CD1' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -53.2 -50.89 63.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.074 0.95 . . . . 0.0 110.104 169.672 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.66 -53.43 43.7 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.0 t -52.62 -47.2 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.767 1.227 . . . . 0.0 109.474 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.21 -31.31 71.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.33 -0.856 . . . . 0.0 112.969 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 25.5 m -79.17 -48.71 13.77 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.293 1.037 . . . . 0.0 110.737 -175.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 8.8 p -59.77 -43.23 94.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.005 0.821 . . . . 0.0 109.991 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.459 ' CE1' HG23 ' A' ' 94' ' ' VAL . 89.1 t80 -59.39 -46.66 88.07 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.546 1.138 . . . . 0.0 110.817 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -48.1 -51.61 23.88 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.195 0.907 . . . . 0.0 111.083 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.62 -33.1 71.08 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.49 -43.96 95.76 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 120.838 -1.164 . . . . 0.0 109.297 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.9 mm -57.34 -42.43 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 119.012 0.824 . . . . 0.0 110.342 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -57.1 -52.17 66.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.695 0.398 . . . . 0.0 110.334 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -58.93 -46.34 88.2 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.311 -0.868 . . . . 0.0 112.168 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.05 -13.75 29.21 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.748 1.219 . . . . 0.0 110.62 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 60.66 50.6 5.51 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 128.859 2.864 . . . . 0.0 110.622 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -110.03 25.48 11.74 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.284 1.434 . . . . 0.0 111.281 -174.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.942 0 O-C-N 121.201 -0.937 . . . . 0.0 109.12 172.396 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -49.36 66.86 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 124.543 1.137 . . . . 0.0 110.664 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -65.46 -31.93 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.719 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -48.85 79.92 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.745 1.611 . . . . 0.0 109.212 174.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -56.49 -50.16 72.59 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.542 1.137 . . . . 0.0 110.247 176.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -65.45 -43.62 89.8 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.508 0.723 . . . . 0.0 112.066 -177.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.1 mt -59.33 -52.88 63.73 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 124.844 1.258 . . . . 0.0 108.753 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 p -66.41 -22.84 66.23 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.299 0.5 . . . . 0.0 112.238 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -73.23 -57.33 4.09 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 124.529 1.132 . . . . 0.0 108.098 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -64.28 -40.13 95.33 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.921 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HA ' HD11 ' A' ' 59' ' ' LEU . 2.3 t80 -52.31 -48.14 65.58 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.998 0.919 . . . . 0.0 110.353 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.16 20.34 17.16 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-O 118.942 -0.921 . . . . 0.0 114.471 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -55.48 -65.35 0.61 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.817 1.809 . . . . 0.0 110.184 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.85 22.02 0.07 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.141 1.376 . . . . 0.0 112.676 -178.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 tp -54.43 -51.09 66.05 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 119.857 1.208 . . . . 0.0 110.414 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -72.49 -34.69 67.84 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.526 -172.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -55.8 -58.34 8.25 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 170.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.6 m -55.94 -33.93 65.18 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.689 0.796 . . . . 0.0 113.134 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -60.91 -60.4 3.85 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -65.56 -39.3 91.52 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 118.955 0.798 . . . . 0.0 109.526 -174.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.55 -44.19 69.04 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.799 1.24 . . . . 0.0 112.447 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.0 mtm -112.77 8.03 18.72 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.316 1.046 . . . . 0.0 112.175 -172.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m 47.0 75.12 0.13 Allowed 'General case' 0 C--O 1.234 0.265 0 C-N-CA 126.123 1.769 . . . . 0.0 111.888 -166.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -112.08 164.32 13.28 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.7 p -104.14 173.25 6.38 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -157.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -28.85 64.71 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 115.617 -2.135 . . . . 0.0 110.367 171.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.37 10.51 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 124.903 1.281 . . . . 0.0 113.367 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.513 HG22 HG22 ' A' ' 48' ' ' THR . 5.7 pt -65.47 -20.55 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 118.313 -0.851 . . . . 0.0 112.103 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -60.76 -34.47 74.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 120.301 1.41 . . . . 0.0 110.211 167.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -35.06 66.95 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -174.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.406 ' OD2' HG23 ' A' ' 43' ' ' ILE . 5.0 t0 -60.72 -63.47 1.29 Allowed 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 119.201 0.91 . . . . 0.0 108.931 169.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -63.53 -29.81 71.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -168.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -66.68 -58.94 4.09 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.465 1.506 . . . . 0.0 110.439 167.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -80.72 9.79 5.76 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.819 1.248 . . . . 0.0 112.305 -175.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -58.11 -34.9 70.69 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 119.975 -1.703 . . . . 0.0 108.245 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -101.79 19.79 17.55 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.45 2.3 . . . . 0.0 112.251 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -70.61 176.39 4.17 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-O 122.964 1.364 . . . . 0.0 109.686 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.06 32.28 0.14 Allowed 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 127.811 2.444 . . . . 0.0 116.103 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.01 2.76 4.61 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.32 0.962 . . . . 0.0 112.828 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -46.07 150.57 0.57 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.368 1.867 . . . . 0.0 112.538 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -111.19 136.18 50.64 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 122.194 0.997 . . . . 0.0 112.872 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.406 HG23 ' OD2' ' A' ' 32' ' ' ASP . 90.8 mt -107.45 104.43 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -129.67 2.3 4.96 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.796 0.725 . . . . 0.0 112.915 174.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -65.24 125.08 23.91 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.718 0.807 . . . . 0.0 109.821 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -67.03 -29.24 68.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.749 -1.22 . . . . 0.0 109.518 171.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -61.46 -37.26 82.92 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.513 HG22 HG22 ' A' ' 29' ' ' ILE . 44.4 p -73.82 -39.99 63.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.2 -45.82 43.49 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.887 1.232 . . . . 0.0 111.444 171.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -36.66 69.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 178.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.22 86.05 Favored 'General case' 0 CA--C 1.526 0.029 0 CA-C-N 118.995 0.816 . . . . 0.0 109.862 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.434 HD13 ' CB ' ' A' ' 115' ' ' ALA . 55.8 mt -51.19 -55.1 8.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.06 -41.15 96.07 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -176.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.8 t -59.09 -46.59 87.91 Favored 'General case' 0 CA--C 1.523 -0.066 0 O-C-N 121.669 -0.644 . . . . 0.0 110.304 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.3 -38.76 92.19 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 117.535 -1.221 . . . . 0.0 109.275 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -52.4 -51.68 57.8 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 120.642 1.565 . . . . 0.0 110.92 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 m -52.0 -59.79 3.94 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.693 0.678 . . . . 0.0 110.685 172.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -66.33 -16.56 64.15 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -170.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 12' ' ' PHE . 49.2 mt -86.72 -2.86 58.87 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 120.927 -1.108 . . . . 0.0 112.275 175.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 42.25 81.76 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.543 1.937 . . . . 0.0 109.542 -151.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.9 mtp -122.97 6.65 9.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.773 169.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.8 mt . . . . . 0 N--CA 1.454 -0.234 0 CA-C-N 119.256 0.934 . . . . 0.0 108.807 177.103 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 121.002 0.429 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -84.66 108.6 17.47 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.592 0.757 . . . . 0.0 110.268 173.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -58.66 -36.21 73.8 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 120.54 -1.35 . . . . 0.0 113.96 -174.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.78 -67.28 2.12 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -56.92 -33.55 67.08 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -171.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.11 78.05 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.011 0.924 . . . . 0.0 109.938 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 42.0 ttm -69.55 -29.92 67.6 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 121.842 -0.536 . . . . 0.0 112.092 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.25 -42.11 99.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.598 1.09 . . . . 0.0 109.406 170.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -58.69 -40.09 82.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.25 0.932 . . . . 0.0 110.255 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.6 -59.16 4.61 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 123.726 0.81 . . . . 0.0 111.207 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -35.39 80.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.688 -0.672 . . . . 0.0 110.241 -175.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -46.47 -55.82 6.89 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.627 1.171 . . . . 0.0 111.147 167.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -75.26 -1.62 24.33 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.184 -0.912 . . . . 0.0 112.89 -174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.55 10.18 44.83 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 119.805 1.184 . . . . 0.0 113.078 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.98 149.07 50.44 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.567 1.184 . . . . 0.0 111.261 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.76 165.85 23.12 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 176.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.29 -54.33 18.23 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.515 -0.74 . . . . 0.0 111.391 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 61.2 m -58.51 -38.01 76.81 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 118.729 0.695 . . . . 0.0 109.76 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.623 ' O ' HD22 ' A' ' 90' ' ' LEU . 9.6 ttt -57.54 -60.32 3.83 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.734 0.814 . . . . 0.0 108.91 173.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.47 74.11 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 119.044 -0.503 . . . . 0.0 111.749 -171.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.97 -39.95 68.97 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 117.05 -1.452 . . . . 0.0 110.536 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -49.9 -57.38 7.57 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 120.113 1.324 . . . . 0.0 109.505 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.623 HD22 ' O ' ' A' ' 86' ' ' MET . 0.4 OUTLIER -54.67 -48.26 72.6 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 117.114 -1.422 . . . . 0.0 112.932 177.724 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.69 -35.15 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 120.034 1.288 . . . . 0.0 111.023 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -64.87 -47.69 76.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 120.366 1.439 . . . . 0.0 109.009 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.3 mt -61.02 -55.64 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 124.17 0.988 . . . . 0.0 108.441 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.7 t -58.16 -52.43 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.437 1.095 . . . . 0.0 109.817 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -62.91 -43.25 99.29 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 -168.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.19 -60.67 7.82 Favored Glycine 0 C--N 1.343 0.942 0 C-N-CA 125.17 1.367 . . . . 0.0 110.271 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.2 m -55.18 -35.48 64.84 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 125.279 1.432 . . . . 0.0 112.713 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.7 -17.65 9.63 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 121.995 2.179 . . . . 0.0 113.118 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -113.03 -46.15 3.12 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.411 1.485 . . . . 0.0 110.678 171.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 m -57.05 -48.35 78.74 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.536 1.534 . . . . 0.0 112.331 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.0 m -62.11 124.17 81.0 Favored Pre-proline 0 N--CA 1.447 -0.6 0 C-N-CA 124.248 1.019 . . . . 0.0 110.31 -175.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.83 148.57 41.22 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.087 2.525 . . . . 0.0 109.872 165.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -151.33 -173.7 4.59 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.276 1.83 . . . . 0.0 108.553 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -109.29 -177.25 3.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 152.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -22.08 9.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 125.456 1.502 . . . . 0.0 113.056 -178.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -61.95 96.26 0.07 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.882 1.273 . . . . 0.0 109.521 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.453 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -48.11 -29.98 4.11 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.696 1.198 . . . . 0.0 111.567 168.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 38.8 m -61.1 -52.47 64.77 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.783 1.174 . . . . 0.0 109.594 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.9 mm -62.06 -49.31 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.671 1.588 . . . . 0.0 108.772 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.453 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 39.4 t90 -49.19 -58.55 4.81 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 125.73 1.612 . . . . 0.0 110.991 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.7 m -62.11 -37.85 86.66 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 119.5 -0.286 . . . . 0.0 111.142 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -46.76 69.12 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.412 1.085 . . . . 0.0 109.766 171.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.33 -49.28 62.03 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 123.978 0.799 . . . . 0.0 111.608 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.55 -44.3 84.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 118.117 0.958 . . . . 0.0 109.589 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.434 ' CB ' HD13 ' A' ' 52' ' ' ILE . . . -65.6 -33.26 75.5 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.615 -1.303 . . . . 0.0 111.751 176.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 m -80.18 -29.82 38.71 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 117.652 -1.166 . . . . 0.0 112.963 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.71 -54.46 31.26 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.903 1.683 . . . . 0.0 107.439 164.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -54.02 -44.11 70.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.847 1.659 . . . . 0.0 112.487 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -43.22 -60.94 1.48 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.818 1.247 . . . . 0.0 109.786 172.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.47 -31.86 68.22 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 123.102 0.251 . . . . 0.0 111.574 -171.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.57 -46.85 74.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.666 1.186 . . . . 0.0 111.152 172.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 13.9 mm -56.0 -42.93 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 120.655 1.57 . . . . 0.0 110.13 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -62.37 -42.91 99.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.35 0.66 . . . . 0.0 110.179 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -44.88 90.47 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 120.327 -1.483 . . . . 0.0 108.791 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.45 -10.7 59.84 Favored 'General case' 0 N--CA 1.438 -1.07 0 O-C-N 124.809 1.318 . . . . 0.0 110.552 -174.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.7 t30 69.77 28.99 4.23 Favored 'General case' 0 C--N 1.342 0.278 0 C-N-CA 127.802 2.441 . . . . 0.0 111.818 -176.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -94.74 42.43 1.09 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.508 1.123 . . . . 0.0 110.891 -173.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 131.169 3.787 . . . . 0.0 104.079 -146.614 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -52.87 -56.36 16.4 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.611 1.164 . . . . 0.0 111.83 -165.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.9 t -69.99 -25.71 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 123.546 0.738 . . . . 0.0 110.509 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -49.66 72.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 119.674 1.124 . . . . 0.0 109.592 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -54.51 -55.91 24.27 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -59.85 -37.16 78.47 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 123.866 0.867 . . . . 0.0 112.618 -173.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.44 -55.11 34.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 124.446 1.098 . . . . 0.0 109.369 174.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 m -62.83 -29.57 70.83 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.53 -46.95 68.19 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.593 1.557 . . . . 0.0 108.158 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.439 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 20.8 m-80 -77.1 -32.36 56.53 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.729 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.53 -49.59 67.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.744 1.218 . . . . 0.0 108.363 167.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.06 7.32 3.26 Favored Glycine 0 CA--C 1.537 1.46 0 CA-C-O 118.377 -1.235 . . . . 0.0 115.847 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HG3' ' HA ' ' A' ' 11' ' ' ASN . 31.9 mttt -65.58 -40.27 92.54 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.599 2.699 . . . . 0.0 111.274 175.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.34 11.08 9.03 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.98 1.264 . . . . 0.0 113.737 -178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.13 -42.96 83.59 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 120.91 -1.119 . . . . 0.0 111.333 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.35 -28.99 65.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.316 0.646 . . . . 0.0 110.677 -172.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.6 -60.66 3.44 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.897 1.279 . . . . 0.0 108.193 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.3 m -54.31 -36.13 63.39 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.955 0.902 . . . . 0.0 110.872 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -61.37 -52.36 64.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 120.432 -1.417 . . . . 0.0 111.058 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 tttm -59.8 -50.15 74.94 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.54 -60.85 2.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.713 0.805 . . . . 0.0 110.862 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.1 mtp -94.58 4.5 53.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.381 0.673 . . . . 0.0 111.274 -161.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.5 m 46.76 87.86 0.02 OUTLIER 'General case' 0 C--O 1.236 0.382 0 C-N-CA 125.481 1.512 . . . . 0.0 109.806 -159.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HB3' HD13 ' A' ' 29' ' ' ILE . 36.1 mt -115.73 143.81 44.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.447 0.567 . . . . 0.0 110.317 173.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -76.78 -171.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 122.868 1.318 . . . . 0.0 112.713 -173.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.13 -9.97 49.04 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 121.086 -1.009 . . . . 0.0 111.868 167.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.91 -24.68 67.6 Favored 'General case' 0 C--O 1.228 -0.057 0 CA-C-N 119.029 0.831 . . . . 0.0 111.287 177.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -72.66 -36.31 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 171.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -70.98 -16.87 62.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 123.72 0.808 . . . . 0.0 110.277 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.47 -51.71 11.24 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -55.34 -59.38 4.88 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -58.36 -30.63 66.91 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.63 -1.294 . . . . 0.0 113.699 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -69.83 -42.1 74.07 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.356 0.98 . . . . 0.0 111.277 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -105.18 0.39 27.29 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 125.25 1.42 . . . . 0.0 113.803 -167.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -45.61 -42.83 11.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 129.406 3.082 . . . . 0.0 111.651 -169.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -90.1 45.25 1.25 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.572 1.149 . . . . 0.0 113.112 173.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -81.93 172.44 13.28 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.409 1.084 . . . . 0.0 108.572 166.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -49.79 83.76 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 127.82 2.448 . . . . 0.0 112.069 163.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.63 29.48 7.74 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 117.406 -1.774 . . . . 0.0 115.0 174.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -48.31 147.2 2.4 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 119.819 1.809 . . . . 0.0 108.545 172.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -118.22 133.62 55.73 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 122.255 1.026 . . . . 0.0 109.723 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.3 mt -97.85 124.77 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 104.113 -2.551 . . . . 0.0 104.113 -163.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -124.25 -32.06 3.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -172.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.13 110.16 0.89 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.221 1.009 . . . . 0.0 110.235 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -54.56 -28.23 44.43 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.279 -0.888 . . . . 0.0 111.144 173.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.34 -31.7 73.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 117.495 -1.241 . . . . 0.0 112.38 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -41.3 73.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 120.347 1.431 . . . . 0.0 108.522 -178.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.92 43.36 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.72 1.152 . . . . 0.0 111.613 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -38.03 89.3 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.82 -0.812 . . . . 0.0 113.03 175.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.98 91.89 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.681 0.673 . . . . 0.0 109.976 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.42 -42.03 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.29 1.436 . . . . 0.0 109.562 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -62.07 -47.6 83.94 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.516 0.727 . . . . 0.0 111.064 176.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.33 -48.85 80.0 Favored 'General case' 0 N--CA 1.461 0.106 0 O-C-N 121.914 -0.491 . . . . 0.0 110.648 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.7 mt -54.82 -47.76 73.68 Favored 'General case' 0 C--O 1.227 -0.11 0 C-N-CA 123.823 0.849 . . . . 0.0 109.796 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -47.87 -58.67 4.08 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.887 0.875 . . . . 0.0 111.693 173.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -39.73 91.26 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 119.961 -1.712 . . . . 0.0 111.07 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -58.3 -43.51 88.12 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.421 1.088 . . . . 0.0 109.885 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -79.86 -12.24 59.76 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 126.419 1.888 . . . . 0.0 111.25 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t30 75.93 74.69 0.09 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 129.254 3.022 . . . . 0.0 109.297 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 23.0 mtp -131.12 16.63 5.08 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.665 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 121.024 1.738 . . . . 0.0 107.957 178.628 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.49 HD13 ' CG1' ' A' ' 94' ' ' VAL . 1.6 tt . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -85.56 91.49 8.27 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.403 -0.811 . . . . 0.0 109.922 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -58.92 -36.3 74.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 123.996 0.918 . . . . 0.0 112.874 -173.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.14 -68.82 1.5 Allowed Glycine 0 CA--C 1.528 0.888 0 CA-C-O 119.424 -0.653 . . . . 0.0 111.571 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -51.18 -38.02 49.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.264 1.032 . . . . 0.0 112.473 174.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.72 93.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.076 0.853 . . . . 0.0 111.483 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.5 ttm -68.69 -40.71 79.94 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.177 0.991 . . . . 0.0 110.819 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -49.13 63.68 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.922 1.689 . . . . 0.0 109.459 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.66 -43.5 89.86 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.536 1.134 . . . . 0.0 111.306 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.93 -56.57 19.52 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.225 0.466 . . . . 0.0 110.336 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -29.56 70.85 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.577 0.751 . . . . 0.0 111.813 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -59.16 -40.43 85.57 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.946 1.298 . . . . 0.0 111.28 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -81.11 -17.24 50.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 117.961 0.346 . . . . 0.0 111.298 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.92 20.78 10.91 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.45 1.024 . . . . 0.0 112.714 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.71 147.69 52.97 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.798 1.299 . . . . 0.0 109.345 170.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.96 157.86 37.48 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -177.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -61.25 -49.16 78.23 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.41 1.484 . . . . 0.0 112.736 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -58.59 -43.84 89.65 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.6 ttt -59.31 -56.97 15.34 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.518 0.727 . . . . 0.0 109.303 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.29 68.44 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.193 -0.942 . . . . 0.0 112.729 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -68.98 -40.35 78.86 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 117.794 -1.098 . . . . 0.0 110.616 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -54.28 -48.74 70.89 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.923 1.238 . . . . 0.0 112.229 171.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.9 -54.78 25.4 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.645 1.111 . . . . 0.0 110.461 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.38 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 CA-C-O 117.093 -1.432 . . . . 0.0 109.926 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.01 -43.62 95.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 120.59 1.541 . . . . 0.0 110.617 -175.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.98 -42.51 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.49 ' CG1' HD13 ' A' ' 68' ' ' LEU . 26.7 t -62.81 -54.03 39.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.284 1.034 . . . . 0.0 109.807 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -53.17 -37.7 62.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.578 1.951 . . . . 0.0 109.092 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.69 4.74 27.14 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 127.543 2.497 . . . . 0.0 114.657 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.408 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 16.4 m -132.12 -33.15 1.35 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.728 1.764 . . . . 0.0 111.538 174.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.577 ' OE1' HG11 ' A' ' 114' ' ' VAL . 7.0 mm-40 -55.56 -19.99 11.87 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 121.793 2.088 . . . . 0.0 113.691 -174.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -113.83 -48.53 2.91 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 120.463 -1.398 . . . . 0.0 109.688 171.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.408 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . 37.4 m -50.43 -53.2 31.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.287 2.235 . . . . 0.0 113.165 -176.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.2 m -59.21 123.3 69.15 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 124.653 1.181 . . . . 0.0 110.189 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.44 134.68 21.05 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.677 2.918 . . . . 0.0 110.548 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -148.18 166.1 28.92 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.452 0.701 . . . . 0.0 110.794 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -90.61 -176.62 4.79 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.116 1.767 . . . . 0.0 109.243 162.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -12.57 47.83 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.67 1.188 . . . . 0.0 112.561 -176.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.401 ' HB3' ' H ' ' A' ' 109' ' ' ILE . 0.5 OUTLIER -63.52 97.91 0.16 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 172.06 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -53.06 -26.61 16.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.056 167.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 45.1 m -61.86 -54.28 44.23 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 119.904 1.229 . . . . 0.0 110.512 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.401 ' H ' ' HB3' ' A' ' 106' ' ' ASP . 9.2 mm -65.28 -38.47 82.69 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 C-N-CA 125.073 1.349 . . . . 0.0 108.804 -171.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -50.16 -72.97 0.04 OUTLIER 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 126.234 1.813 . . . . 0.0 110.706 168.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.3 m -59.66 -29.49 68.09 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.451 0.569 . . . . 0.0 111.694 -173.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.42 -57.38 7.07 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.096 0.958 . . . . 0.0 110.419 168.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.16 -33.3 69.18 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-O 118.553 -1.137 . . . . 0.0 112.167 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.577 HG11 ' OE1' ' A' ' 98' ' ' GLU . 47.6 t -67.97 -34.28 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 119.155 1.477 . . . . 0.0 109.452 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.63 -39.89 64.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.711 -1.243 . . . . 0.0 110.362 171.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.1 m -68.03 -42.86 79.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.081 0.855 . . . . 0.0 111.638 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 26.4 p -57.77 -54.18 49.78 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 119.554 1.07 . . . . 0.0 109.344 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.42 -42.74 74.55 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.59 1.956 . . . . 0.0 111.186 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.93 -51.96 64.47 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.251 176.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.52 -41.76 63.75 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.916 0.78 . . . . 0.0 111.167 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -62.07 -43.39 98.94 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 121.409 -0.807 . . . . 0.0 112.349 177.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.04 -41.1 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.385 0.993 . . . . 0.0 110.146 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -58.97 -46.29 88.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -63.37 -43.26 98.13 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.145 -0.972 . . . . 0.0 111.136 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.08 -15.3 63.63 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.927 1.291 . . . . 0.0 112.61 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.61 41.35 2.32 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.042 1.337 . . . . 0.0 110.608 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 23.7 m0 -113.11 29.88 7.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.196 0.999 . . . . 0.0 110.709 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 C-N-CA 125.461 1.504 . . . . 0.0 109.193 178.685 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.222 -0.344 0 N-CA-C 111.525 0.195 . . . . 0.0 111.525 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -41.75 -55.6 2.95 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 128.11 2.564 . . . . 0.0 112.916 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -85.73 -34.84 8.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 O-C-N 122.101 -0.375 . . . . 0.0 110.75 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -43.96 74.37 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.069 0.948 . . . . 0.0 111.607 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -57.34 -53.45 57.93 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.26 1.024 . . . . 0.0 110.455 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -62.23 -37.79 86.72 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.533 1.133 . . . . 0.0 112.02 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.93 -54.39 47.43 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 124.275 1.03 . . . . 0.0 108.887 176.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -71.32 -9.85 58.8 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.98 -0.533 . . . . 0.0 112.101 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -84.92 -53.94 4.99 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.525 1.13 . . . . 0.0 109.325 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.24 -27.97 69.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.677 1.191 . . . . 0.0 111.369 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -53.68 -45.88 70.46 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.603 0.761 . . . . 0.0 110.699 168.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.35 7.27 57.72 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-O 118.397 -1.224 . . . . 0.0 115.011 -176.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -58.84 -29.74 67.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 120.125 1.963 . . . . 0.0 112.743 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.65 14.04 33.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.301 1.04 . . . . 0.0 113.185 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.55 -51.41 69.56 Favored 'General case' 0 C--O 1.228 -0.077 0 O-C-N 121.091 -1.006 . . . . 0.0 111.346 -173.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -66.4 -28.5 68.67 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.24 1.016 . . . . 0.0 111.065 -175.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.68 -54.47 27.05 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -31.41 70.78 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -55.47 -48.98 73.69 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 121.642 -0.661 . . . . 0.0 109.385 170.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -75.58 -20.37 58.66 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.35 0.977 . . . . 0.0 113.356 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.2 -71.48 0.26 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.334 0.97 . . . . 0.0 109.005 172.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.5 mtm -86.78 -0.8 57.04 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.238 1.415 . . . . 0.0 110.984 -165.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 m 61.19 68.64 0.72 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.82 2.448 . . . . 0.0 112.546 -176.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.8 mt -110.27 151.13 27.74 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -96.19 174.08 7.08 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.448 0.699 . . . . 0.0 110.208 -155.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -15.71 62.92 Favored 'General case' 0 N--CA 1.439 -0.996 0 O-C-N 120.825 -1.172 . . . . 0.0 111.657 172.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.27 -34.39 73.68 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 118.918 -0.563 . . . . 0.0 110.195 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.462 ' HB ' HG22 ' A' ' 48' ' ' THR . 3.7 pt -67.8 -29.6 45.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 119.265 0.939 . . . . 0.0 111.277 178.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -61.39 -33.65 74.02 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 119.836 1.198 . . . . 0.0 108.972 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -45.09 74.56 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 175.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.441 ' CB ' HG21 ' A' ' 48' ' ' THR . 0.9 OUTLIER -62.1 -47.45 84.59 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 119.404 1.002 . . . . 0.0 109.777 -175.502 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -65.12 -44.7 87.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.876 1.27 . . . . 0.0 110.898 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -63.18 -54.35 38.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 119.025 0.829 . . . . 0.0 110.069 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -76.49 1.04 17.71 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 117.72 -1.133 . . . . 0.0 112.064 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -51.13 -41.81 60.32 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 121.533 1.969 . . . . 0.0 110.495 -172.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -82.61 8.07 12.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.354 1.462 . . . . 0.0 114.638 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -61.44 166.51 3.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 120.553 1.524 . . . . 0.0 108.966 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.1 40.33 0.91 Allowed 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.725 1.21 . . . . 0.0 113.811 -169.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.83 12.54 0.47 Allowed Glycine 0 CA--C 1.525 0.696 0 CA-C-O 118.602 -1.11 . . . . 0.0 113.849 171.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -55.23 140.9 37.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.47 1.135 . . . . 0.0 109.938 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.03 134.63 50.65 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.093 0.957 . . . . 0.0 110.619 171.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.5 mt -96.69 112.71 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 -176.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -128.17 4.48 5.82 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 174.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.524 ' HB3' HG23 ' A' ' 48' ' ' THR . 2.1 m-20 -65.41 106.29 1.36 Allowed 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 166.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -57.71 -27.62 63.1 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.018 -1.051 . . . . 0.0 109.825 166.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.68 -36.02 71.38 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.967 174.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.524 HG23 ' HB3' ' A' ' 45' ' ' ASN . 15.3 p -69.7 -40.5 76.28 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 120.323 1.419 . . . . 0.0 108.247 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.91 -47.8 52.94 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 118.962 0.801 . . . . 0.0 111.24 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.56 -35.65 73.2 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.876 -0.779 . . . . 0.0 112.928 176.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.24 -50.9 71.17 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.165 0.893 . . . . 0.0 110.766 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.92 -46.31 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 127.465 2.306 . . . . 0.0 108.483 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 10.8 tmm? -60.42 -51.26 70.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.757 0.708 . . . . 0.0 110.805 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.9 t -51.22 -51.8 50.48 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 123.363 0.665 . . . . 0.0 110.078 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.8 mt -53.82 -54.4 38.9 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.347 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.8 m -52.53 -48.77 65.87 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 119.751 1.16 . . . . 0.0 112.127 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -41.96 89.96 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.025 0.83 . . . . 0.0 111.45 176.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -60.18 -35.17 74.77 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.812 -1.18 . . . . 0.0 111.086 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -76.17 -4.54 42.22 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.064 0.847 . . . . 0.0 112.395 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t30 62.54 41.67 9.4 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 129.114 2.966 . . . . 0.0 112.342 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.6 mtt -88.5 -3.32 58.84 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.971 -1.081 . . . . 0.0 112.821 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 69.8 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 171.605 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 tp . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -76.63 91.91 3.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 121.281 -0.887 . . . . 0.0 109.172 165.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -53.65 -39.06 64.71 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.049 0.939 . . . . 0.0 111.9 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.88 -70.29 1.02 Allowed Glycine 0 CA--C 1.523 0.58 0 C-N-CA 126.245 1.879 . . . . 0.0 111.734 171.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.9 -43.05 65.91 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.442 1.121 . . . . 0.0 111.136 -177.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.65 -52.94 58.35 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.411 1.084 . . . . 0.0 111.275 174.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.5 ttm -68.77 -38.01 79.74 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.912 -0.492 . . . . 0.0 111.351 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.48 -53.93 51.72 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.598 1.159 . . . . 0.0 108.439 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -53.76 -45.97 70.8 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.531 1.133 . . . . 0.0 110.804 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.45 -65.54 0.61 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.476 0.311 . . . . 0.0 110.231 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 84' ' ' GLU . 1.7 mptm? -54.95 -41.89 71.67 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.599 0.76 . . . . 0.0 110.058 -175.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -50.29 -47.06 55.65 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 127.43 2.292 . . . . 0.0 113.812 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -73.47 -18.31 61.13 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.541 -0.724 . . . . 0.0 111.371 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.97 4.11 8.01 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.125 1.345 . . . . 0.0 112.617 -173.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.21 153.04 35.82 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 119.882 1.841 . . . . 0.0 110.513 -173.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.27 156.44 39.11 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.665 171.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 0.7 OUTLIER -48.68 -64.8 0.7 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 129.509 3.124 . . . . 0.0 112.259 173.62 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.6 m -72.14 -24.59 61.48 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 120.929 -1.107 . . . . 0.0 110.094 -174.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -45.82 87.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.633 -0.667 . . . . 0.0 109.45 172.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.59 96.81 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 118.713 -0.66 . . . . 0.0 111.065 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -69.09 -35.23 76.27 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.862 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -58.51 -50.68 72.87 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 125.192 1.397 . . . . 0.0 110.16 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.4 mt -51.33 -51.7 51.99 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 118.333 -0.841 . . . . 0.0 109.449 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.53 -44.03 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-O 117.642 -1.171 . . . . 0.0 110.255 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -59.06 -30.68 68.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 120.613 1.551 . . . . 0.0 112.152 -174.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 40.5 mt -91.04 -43.91 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.872 1.269 . . . . 0.0 110.0 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.2 t -62.37 -54.63 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 119.938 1.244 . . . . 0.0 108.518 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.463 ' CD2' ' HE2' ' A' ' 99' ' ' LYS . 8.7 t-160 -57.83 -39.45 77.68 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.51 1.124 . . . . 0.0 109.157 173.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.49 -16.71 55.56 Favored Glycine 0 C--N 1.341 0.814 0 C-N-CA 126.737 2.113 . . . . 0.0 113.85 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 52.1 m -109.34 -40.12 5.01 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 116.332 -1.794 . . . . 0.0 111.069 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -49.5 -29.09 6.18 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 122.409 2.368 . . . . 0.0 114.622 -170.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.463 ' HE2' ' CD2' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -120.48 -4.89 9.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.274 1.03 . . . . 0.0 112.604 178.054 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.4 t -87.17 -51.27 6.08 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.015 -1.053 . . . . 0.0 108.837 172.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.3 m -57.21 116.41 13.55 Favored Pre-proline 0 N--CA 1.443 -0.798 0 C-N-CA 127.484 2.314 . . . . 0.0 109.527 -175.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.64 129.2 8.18 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.939 2.426 . . . . 0.0 109.322 174.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.06 177.57 10.66 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.077 1.751 . . . . 0.0 108.765 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.513 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 1.1 m-20 -81.0 -168.48 1.82 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.572 1.149 . . . . 0.0 110.174 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.85 -16.2 57.62 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.441 0.697 . . . . 0.0 111.521 159.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.513 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 9.0 t0 -69.62 96.12 0.92 Allowed 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 121.775 -0.578 . . . . 0.0 110.348 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -52.13 -32.75 36.86 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.263 1.425 . . . . 0.0 111.845 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.0 m -63.84 -52.72 58.84 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.748 1.158 . . . . 0.0 108.894 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 11.2 mm -57.8 -49.19 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.702 1.201 . . . . 0.0 109.59 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -50.18 -65.78 0.5 Allowed 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 126.782 2.033 . . . . 0.0 110.806 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.4 m -59.86 -33.53 71.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.893 0.769 . . . . 0.0 112.155 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.73 -52.91 62.29 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.684 1.129 . . . . 0.0 109.225 170.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.18 -45.61 93.82 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.852 0.751 . . . . 0.0 112.115 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.4 t -62.76 -27.5 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 125.265 1.426 . . . . 0.0 110.257 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -77.02 -45.92 25.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 120.615 -1.303 . . . . 0.0 110.365 172.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.6 m -64.03 -33.8 76.56 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.068 1.303 . . . . 0.0 112.782 -173.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 p -70.67 -51.1 30.01 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.582 1.083 . . . . 0.0 109.687 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -54.92 -45.93 74.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.819 1.648 . . . . 0.0 110.896 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -45.88 -59.57 2.74 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 126.23 1.812 . . . . 0.0 110.256 172.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.57 -39.15 48.75 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.513 0.597 . . . . 0.0 111.889 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.24 -41.75 96.84 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.302 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 16.1 mm -60.11 -44.66 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 120.527 1.512 . . . . 0.0 110.365 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -59.03 -36.99 75.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.216 0.606 . . . . 0.0 110.588 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -78.0 -46.13 21.88 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.059 0.944 . . . . 0.0 111.254 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.74 -14.72 34.64 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.59 1.556 . . . . 0.0 111.305 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 62.51 42.62 8.53 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.763 1.625 . . . . 0.0 110.761 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -100.5 11.49 39.35 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.366 163.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.266 0 N-CA-C 106.317 -1.735 . . . . 0.0 106.317 151.834 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 118.947 -0.549 . . . . 0.0 112.467 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -53.11 -52.28 59.15 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.17 0.986 . . . . 0.0 110.845 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -69.78 -47.8 68.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.148 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 tpt -47.86 -52.98 17.1 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.357 1.463 . . . . 0.0 111.248 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.03 -47.74 77.28 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.716 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -67.88 -35.42 78.48 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.617 1.167 . . . . 0.0 112.457 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.45 -54.98 39.0 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 170.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 t -64.54 1.21 0.86 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.956 1.703 . . . . 0.0 113.089 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 tt -104.29 -53.82 2.65 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.197 1.799 . . . . 0.0 107.855 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -61.13 -36.36 79.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.128 1.371 . . . . 0.0 111.453 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.505 ' HA ' HD11 ' A' ' 59' ' ' LEU . 52.4 t80 -47.51 -49.57 25.65 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.516 1.127 . . . . 0.0 110.937 176.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.29 11.38 63.39 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.974 -0.904 . . . . 0.0 114.588 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -57.04 -41.96 79.62 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 120.019 1.91 . . . . 0.0 112.911 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.59 20.09 12.41 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.09 0.956 . . . . 0.0 112.365 -176.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tp -52.44 -51.61 58.32 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.31 1.044 . . . . 0.0 110.428 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.32 -33.88 76.19 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 118.531 0.605 . . . . 0.0 110.512 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.63 -59.68 5.01 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -51.92 -42.03 62.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.407 1.083 . . . . 0.0 111.522 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -57.72 -61.65 2.37 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.05 -1.032 . . . . 0.0 109.701 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -61.21 -41.16 96.37 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.81 0.844 . . . . 0.0 110.479 -173.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -57.24 -50.34 73.2 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.792 2.037 . . . . 0.0 111.815 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.6 mtp -99.51 -4.94 30.15 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.716 0.806 . . . . 0.0 111.715 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 83.2 m 40.17 83.27 0.02 OUTLIER 'General case' 0 C--O 1.24 0.586 0 CA-C-O 123.116 1.436 . . . . 0.0 111.151 -150.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.2 mt -97.36 -175.72 3.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 113.786 -1.552 . . . . 0.0 106.836 154.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.3 p -107.35 176.25 5.22 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 125.984 1.714 . . . . 0.0 109.007 -169.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.33 -9.61 35.35 Favored 'General case' 0 N--CA 1.441 -0.924 0 O-C-N 121.453 -0.78 . . . . 0.0 111.788 162.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.35 71.98 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.792 -0.568 . . . . 0.0 112.18 172.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.7 pt -61.82 -26.92 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-N 119.354 0.979 . . . . 0.0 111.639 170.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -61.46 -31.33 71.29 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -46.03 38.68 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.151 0.98 . . . . 0.0 111.611 174.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CB ' HG21 ' A' ' 48' ' ' THR . 20.2 m-20 -61.13 -17.17 51.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.751 0.82 . . . . 0.0 111.127 176.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -95.79 -47.91 5.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 126.03 1.732 . . . . 0.0 112.345 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -61.54 -34.74 76.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.493 1.517 . . . . 0.0 110.908 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -104.76 13.9 30.56 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.761 1.224 . . . . 0.0 111.803 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -55.06 -46.43 75.4 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.823 1.192 . . . . 0.0 110.58 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.41 ' CH2' HG21 ' A' ' 122' ' ' ILE . 49.8 m95 -88.14 44.2 1.18 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.423 1.489 . . . . 0.0 111.397 177.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 175.1 9.99 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 120.571 -1.331 . . . . 0.0 108.002 158.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -99.51 24.86 7.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.2 1.0 . . . . 0.0 113.687 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.47 12.99 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.34 -0.7 . . . . 0.0 114.347 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -75.21 123.74 25.81 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 118.939 1.369 . . . . 0.0 111.491 -170.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -95.41 134.69 37.94 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.256 1.022 . . . . 0.0 111.27 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 55.1 mt -113.07 108.52 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -170.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -130.33 1.51 4.62 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.529 ' HB3' HG23 ' A' ' 48' ' ' THR . 52.2 t-20 -63.95 106.57 1.05 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -55.43 -27.01 45.25 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.147 -0.971 . . . . 0.0 110.518 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -70.04 -26.29 63.97 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.487 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.529 HG23 ' HB3' ' A' ' 45' ' ' ASN . 43.9 p -68.0 -44.44 76.58 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 177.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA3' ' HB2' ' A' ' 112' ' ' LEU . . . -53.69 -37.66 57.36 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 123.422 0.534 . . . . 0.0 112.986 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -39.2 55.18 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.417 0.608 . . . . 0.0 111.113 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.06 -49.29 72.0 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.56 -50.51 73.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 125.544 1.538 . . . . 0.0 109.705 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 19.0 ttp -53.56 -51.25 63.54 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 120.018 1.281 . . . . 0.0 111.583 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.98 -49.62 76.18 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.05 -45.94 89.49 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 117.897 -1.049 . . . . 0.0 110.294 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 m -56.14 -44.14 78.91 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 121.01 1.732 . . . . 0.0 111.766 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.9 m -53.02 -57.86 8.93 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -67.35 -13.32 61.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.032 1.333 . . . . 0.0 113.076 -170.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.505 HD11 ' HA ' ' A' ' 12' ' ' PHE . 13.2 mt -94.22 6.78 47.57 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.171 0.989 . . . . 0.0 110.899 173.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 62.24 37.55 14.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.894 1.678 . . . . 0.0 110.453 -177.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 36.0 mtm -98.64 -7.57 27.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 117.963 -1.018 . . . . 0.0 112.333 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 CA--C 1.519 -0.222 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -174.886 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.08 89.6 2.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.412 2.285 . . . . 0.0 105.206 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -61.11 -30.54 70.43 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -173.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.48 -65.89 2.72 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.579 1.085 . . . . 0.0 111.298 166.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -71.38 -22.91 61.82 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.45 81.35 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.77 1.628 . . . . 0.0 111.662 169.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 17.5 ttm -66.01 -37.7 86.59 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 121.767 -0.583 . . . . 0.0 109.661 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -55.33 36.48 Favored 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -45.45 -48.16 13.81 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 123.869 0.868 . . . . 0.0 110.116 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.5 -68.02 0.3 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.613 0.765 . . . . 0.0 111.357 175.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.1 -38.37 73.27 Favored 'General case' 0 C--N 1.344 0.353 0 O-C-N 121.093 -1.005 . . . . 0.0 111.761 -173.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -47.49 -49.05 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.553 1.941 . . . . 0.0 110.992 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -78.52 -2.48 38.92 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.38 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.52 3.92 22.07 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.994 1.283 . . . . 0.0 113.188 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.39 146.15 54.93 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 119.631 1.716 . . . . 0.0 111.155 -165.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.55 160.33 16.82 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 122.209 1.004 . . . . 0.0 109.146 174.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -59.99 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.019 1.328 . . . . 0.0 110.413 176.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.7 m -68.69 -31.79 71.13 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 119.025 0.83 . . . . 0.0 110.551 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 9.5 ttt -55.42 -55.14 35.14 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 119.169 0.895 . . . . 0.0 108.979 170.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.04 -30.14 70.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 120.803 -1.186 . . . . 0.0 111.846 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -66.88 -42.12 86.08 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 119.415 1.007 . . . . 0.0 110.551 171.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -57.19 -48.45 78.72 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.666 1.587 . . . . 0.0 110.104 174.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 mp -55.74 -20.4 14.54 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 125.701 1.601 . . . . 0.0 114.949 175.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.0 mp -103.54 -32.35 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-O 116.694 -1.622 . . . . 0.0 111.335 171.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -60.56 -48.24 82.67 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 121.604 2.002 . . . . 0.0 109.348 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.6 mt -67.49 -49.82 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -176.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.2 t -67.52 -49.12 73.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 118.248 0.476 . . . . 0.0 110.516 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -58.15 -41.84 84.64 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.61 18.09 6.08 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 128.91 3.148 . . . . 0.0 114.42 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 67.5 m -131.8 -28.1 1.83 Allowed 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 125.651 1.58 . . . . 0.0 110.229 168.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -56.47 -17.31 7.79 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 121.857 2.117 . . . . 0.0 114.641 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 -43.6 2.23 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.601 -1.312 . . . . 0.0 108.81 173.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 m -55.86 -40.68 73.26 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 127.494 2.317 . . . . 0.0 113.695 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.8 m -69.17 118.03 57.79 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 171.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -77.94 140.37 18.12 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.518 2.145 . . . . 0.0 108.396 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.43 161.56 42.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.25 0.62 . . . . 0.0 109.361 170.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.61 162.91 3.54 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 151.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -62.23 -5.1 2.1 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.035 1.734 . . . . 0.0 113.69 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -68.53 97.12 0.75 Allowed 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -34.77 23.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 127.195 2.198 . . . . 0.0 115.714 -174.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.96 -45.52 85.38 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 119.976 1.262 . . . . 0.0 109.25 173.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.3 mt -63.51 -44.3 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 119.687 1.131 . . . . 0.0 109.926 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -50.68 -65.84 0.49 Allowed 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.2 1.4 . . . . 0.0 111.008 171.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.8 m -62.49 -34.31 76.59 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.156 0.889 . . . . 0.0 111.983 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.451 ' HB2' ' HA3' ' A' ' 49' ' ' GLY . 7.1 tp -53.75 -47.31 70.77 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.034 1.288 . . . . 0.0 108.681 169.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.59 -45.42 96.36 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.153 0.883 . . . . 0.0 112.335 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 35.9 t -58.32 -39.46 74.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 118.866 1.333 . . . . 0.0 109.332 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.99 77.28 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.653 -1.279 . . . . 0.0 112.467 173.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.5 m -66.38 -41.33 89.54 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.152 0.887 . . . . 0.0 110.519 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.6 p -58.3 -49.73 76.14 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -65.78 -39.09 90.63 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 127.403 2.281 . . . . 0.0 110.673 -172.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -60.53 2.71 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 124.261 1.024 . . . . 0.0 109.275 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.95 74.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 118.848 -0.596 . . . . 0.0 111.325 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.66 -41.7 74.01 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 117.73 -1.129 . . . . 0.0 111.224 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.41 HG21 ' CH2' ' A' ' 37' ' ' TRP . 4.3 mm -60.49 -47.07 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 121.467 1.94 . . . . 0.0 110.29 177.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -65.38 -14.37 60.71 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 176.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -41.76 11.6 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 120.781 1.628 . . . . 0.0 109.175 172.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.477 HD13 ' CZ3' ' A' ' 127' ' ' TRP . 35.9 mt -68.69 -29.01 67.37 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -174.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 20.6 t30 95.42 27.58 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.32 1 C-N-CA 132.607 4.363 . . . . 0.0 110.511 167.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.477 ' CZ3' HD13 ' A' ' 125' ' ' LEU 0.26 6.6 m0 -91.77 27.97 1.92 Allowed 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -168.373 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-N 119.119 0.872 . . . . 0.0 110.375 178.505 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? . . . . . 0 C--O 1.226 -0.136 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -58.95 -44.96 91.55 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.971 0.805 . . . . 0.0 110.052 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' A' ' 82' ' ' ALA . 56.1 t -62.13 -50.01 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.81 0.844 . . . . 0.0 109.444 174.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -38.34 86.09 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.944 1.247 . . . . 0.0 110.416 -176.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -57.33 -53.93 52.59 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 124.232 1.013 . . . . 0.0 109.535 169.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -53.54 -46.84 70.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.769 1.628 . . . . 0.0 111.595 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -62.83 -59.71 4.48 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 127.639 2.376 . . . . 0.0 109.055 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 t -60.43 -28.37 68.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.145 1.378 . . . . 0.0 111.674 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -70.27 -55.06 10.17 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 125.433 1.493 . . . . 0.0 107.895 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -66.96 -33.5 75.71 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.202 -175.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.484 ' HA ' HD11 ' A' ' 59' ' ' LEU . 62.5 t80 -55.13 -36.88 66.23 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.513 1.125 . . . . 0.0 110.754 172.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.87 13.88 58.02 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 118.45 -1.195 . . . . 0.0 114.322 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -54.09 43.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 120.23 2.015 . . . . 0.0 111.089 -178.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.17 18.38 1.09 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.715 1.206 . . . . 0.0 112.641 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tp -57.96 -54.45 46.82 Favored 'General case' 0 C--O 1.223 -0.318 0 O-C-N 120.779 -1.201 . . . . 0.0 110.966 -174.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.02 -31.28 72.08 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.825 0.739 . . . . 0.0 112.591 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.22 -65.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 169.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.7 m -52.92 -35.69 58.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.915 0.886 . . . . 0.0 112.739 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -59.27 -53.27 60.15 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.422 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -70.58 -32.76 70.28 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.598 1.09 . . . . 0.0 110.8 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.98 -34.62 76.89 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.404 1.002 . . . . 0.0 112.805 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.0 mtm -116.97 9.52 13.74 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.738 1.215 . . . . 0.0 112.916 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.8 m 40.89 72.25 0.16 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-O 123.791 1.758 . . . . 0.0 111.254 -169.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.12 168.99 9.23 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 164.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.8 p -105.91 -171.51 1.92 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.626 1.203 . . . . 0.0 110.059 -159.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.5 -11.51 40.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.537 159.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -33.93 76.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 119.472 1.033 . . . . 0.0 109.897 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.5 pt -61.86 -30.93 49.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 CA-C-O 118.44 -0.791 . . . . 0.0 110.587 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -62.15 -33.66 74.92 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 119.107 0.867 . . . . 0.0 108.695 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -44.16 76.52 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.81 2.044 . . . . 0.0 111.264 176.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -58.19 -58.85 6.65 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -58.49 -34.04 70.46 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.236 -0.915 . . . . 0.0 112.226 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -43.36 86.53 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.662 1.185 . . . . 0.0 110.198 175.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -113.14 5.18 16.94 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 123.723 0.809 . . . . 0.0 111.924 -162.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.444 ' CE1' ' HG3' ' A' ' 119' ' ' LYS . 3.6 t80 -49.69 -42.26 45.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.133 1.773 . . . . 0.0 111.484 -178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -90.39 28.5 1.45 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.962 1.305 . . . . 0.0 112.719 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -79.48 174.52 11.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.885 1.274 . . . . 0.0 107.99 172.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.34 109.97 21.77 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 163.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.3 26.37 18.58 Favored Glycine 0 N--CA 1.466 0.688 0 C-N-CA 123.869 0.747 . . . . 0.0 114.463 166.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -87.98 145.08 26.18 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.573 1.149 . . . . 0.0 109.215 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -121.39 135.67 55.04 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-O 122.502 1.144 . . . . 0.0 110.568 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.9 mt -102.44 105.04 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 104.186 -2.524 . . . . 0.0 104.186 178.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -116.9 -8.38 11.31 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 119.214 -0.422 . . . . 0.0 112.048 169.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -48.14 114.17 0.88 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 126.522 1.929 . . . . 0.0 110.808 173.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -64.18 -28.1 69.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.27 -0.893 . . . . 0.0 110.296 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.75 -28.06 63.39 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.299 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.2 p -66.3 -44.51 83.28 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-N 120.03 1.286 . . . . 0.0 108.17 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.22 -52.14 23.79 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 124.844 1.211 . . . . 0.0 111.022 174.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -30.81 69.51 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.45 -52.25 66.0 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 120.035 1.289 . . . . 0.0 109.559 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.4 mt -55.29 -45.82 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.306 1.442 . . . . 0.0 108.525 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -58.85 -51.33 70.45 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.929 0.892 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.4 t -57.62 -53.87 53.28 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 122.969 0.507 . . . . 0.0 110.365 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 76.9 mt -54.1 -45.25 71.8 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.338 1.055 . . . . 0.0 110.732 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -51.49 -56.83 11.2 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.7 0.8 . . . . 0.0 110.709 174.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -50.36 -54.12 23.96 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.131 0.878 . . . . 0.0 111.0 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -64.02 -21.79 66.65 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.282 1.033 . . . . 0.0 113.308 -170.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 12' ' ' PHE . 21.7 mt -83.33 -2.28 55.32 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.919 0.888 . . . . 0.0 111.765 175.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 72.2 22.04 3.72 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 129.251 3.02 . . . . 0.0 112.226 -165.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.7 mtm -100.03 52.62 0.91 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.531 1.132 . . . . 0.0 110.733 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 147.424 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 C--O 1.236 0.342 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -113.4 106.14 14.23 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 163.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -49.61 -55.49 13.41 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.245 0.618 . . . . 0.0 111.0 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.89 -56.06 6.03 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.369 1.462 . . . . 0.0 113.571 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -70.18 -37.44 75.13 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.945 0.872 . . . . 0.0 111.798 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.77 -47.39 86.52 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.158 0.983 . . . . 0.0 111.404 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -43.24 99.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.27 1.828 . . . . 0.0 110.401 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -57.84 10.81 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 123.716 0.806 . . . . 0.0 109.376 172.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -49.06 -43.86 41.25 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.643 1.177 . . . . 0.0 110.575 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.51 ' HA ' HD11 ' A' ' 8' ' ' LEU . . . -65.0 -59.8 3.75 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 118.551 0.614 . . . . 0.0 112.365 176.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -61.25 -19.99 62.33 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.326 0.966 . . . . 0.0 112.752 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -70.62 -31.09 67.93 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 120.219 -1.551 . . . . 0.0 111.331 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -108.14 13.3 26.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.841 2.056 . . . . 0.0 113.465 -170.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.34 10.87 53.42 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-N 119.854 1.206 . . . . 0.0 114.468 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.416 ' HA ' HG11 ' A' ' 4' ' ' VAL . . . -78.43 129.7 35.23 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 119.413 1.607 . . . . 0.0 112.309 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.61 158.36 6.1 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 122.775 1.274 . . . . 0.0 110.299 166.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -53.88 50.7 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.052 2.141 . . . . 0.0 111.311 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 m -65.94 -39.1 90.19 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.97 -51.98 67.35 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 122.996 0.518 . . . . 0.0 109.732 176.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.24 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 119.091 0.86 . . . . 0.0 112.218 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -65.27 -47.87 75.18 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.369 173.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.05 -44.55 91.83 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.983 1.713 . . . . 0.0 110.594 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.01 -11.44 19.1 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.868 1.267 . . . . 0.0 112.396 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.1 -47.14 11.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 117.827 -1.082 . . . . 0.0 111.115 164.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.43 -30.68 71.77 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 120.985 1.72 . . . . 0.0 110.712 -168.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 56.3 mt -75.96 -47.92 30.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 123.834 0.854 . . . . 0.0 108.702 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.18 -63.13 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 125.033 1.333 . . . . 0.0 109.982 -178.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.586 ' CD2' ' HE2' ' A' ' 99' ' ' LYS . 19.1 t-160 -54.92 -46.95 74.97 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.018 1.327 . . . . 0.0 108.375 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.95 -23.32 56.64 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 118.394 -1.226 . . . . 0.0 113.277 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.9 m -95.41 -24.8 16.53 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 119.828 1.814 . . . . 0.0 112.029 171.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.42 -29.91 7.18 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 122.259 2.299 . . . . 0.0 113.293 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.586 ' HE2' ' CD2' ' A' ' 95' ' ' HIS . 0.5 OUTLIER -120.03 -35.45 3.48 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 124.971 1.308 . . . . 0.0 111.51 -175.226 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -34.36 64.1 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.369 1.067 . . . . 0.0 112.099 -178.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.1 m -69.13 121.13 80.75 Favored Pre-proline 0 N--CA 1.45 -0.441 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -74.5 145.85 34.09 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 122.654 2.236 . . . . 0.0 110.271 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.45 -174.33 3.93 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.292 1.437 . . . . 0.0 109.358 -174.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.31 2.6 p30 -112.66 -174.24 2.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 148.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -13.63 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.728 1.211 . . . . 0.0 111.752 178.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -66.17 96.05 0.32 Allowed 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.338 1.455 . . . . 0.0 110.274 171.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -44.71 -35.32 2.61 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.364 1.066 . . . . 0.0 111.969 167.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 34.5 m -61.94 -48.26 81.23 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 119.511 1.051 . . . . 0.0 110.083 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.0 mm -64.15 -45.18 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 125.487 1.515 . . . . 0.0 109.397 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -48.97 -66.94 0.32 Allowed 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.261 1.424 . . . . 0.0 110.471 172.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.0 m -60.98 -29.07 69.45 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.88 -56.23 13.27 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.889 0.876 . . . . 0.0 109.59 169.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.46 -38.31 69.55 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-O 119.236 -0.758 . . . . 0.0 112.533 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.54 -23.67 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 118.717 1.258 . . . . 0.0 108.8 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.4 -49.31 12.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.097 -1.43 . . . . 0.0 111.497 167.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -58.9 -37.97 77.83 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 121.579 1.99 . . . . 0.0 112.458 -171.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 20.2 p -61.05 -61.55 2.5 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -49.94 -46.95 52.65 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 126.327 1.851 . . . . 0.0 111.708 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.444 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 1.9 ttpp -46.07 -57.8 4.15 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 127.413 2.285 . . . . 0.0 110.584 172.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.35 -32.22 72.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.076 0.853 . . . . 0.0 111.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.03 -41.22 82.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.674 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.2 mm -56.17 -45.42 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 119.642 1.11 . . . . 0.0 110.098 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -64.17 -28.35 69.69 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.16 0.584 . . . . 0.0 111.935 175.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -40.46 72.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 119.975 -1.703 . . . . 0.0 107.916 174.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.5 mt -75.28 -4.76 40.97 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.556 1.143 . . . . 0.0 111.388 -172.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.3 t30 58.54 23.83 11.26 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.359 2.263 . . . . 0.0 112.201 -171.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.1 m0 -86.06 27.46 0.9 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.44 1.896 . . . . 0.0 111.154 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 1 C-N-CA 131.776 4.03 . . . . 0.0 107.002 -164.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -41.67 -69.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 129.883 3.273 . . . . 0.0 110.674 -167.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.88 -35.24 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.759 -175.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -47.49 85.46 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.21 1.804 . . . . 0.0 111.261 177.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.63 -45.74 85.02 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.052 0.941 . . . . 0.0 109.911 175.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -68.36 -36.77 79.69 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 122.639 0.375 . . . . 0.0 111.792 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.39 -46.49 86.22 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 125.032 1.333 . . . . 0.0 110.323 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -53.14 -44.68 67.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.255 1.422 . . . . 0.0 109.329 170.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.25 -38.51 68.87 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 120.664 -1.272 . . . . 0.0 111.208 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.9 -35.05 62.26 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.424 -174.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.456 ' HA ' HD11 ' A' ' 59' ' ' LEU . 3.5 t80 -56.5 -45.38 81.05 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 168.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.89 10.08 1.73 Allowed Glycine 0 CA--C 1.536 1.355 0 CA-C-O 117.878 -1.512 . . . . 0.0 116.573 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -58.73 7.27 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 121.26 2.53 . . . . 0.0 111.52 -176.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 22.55 0.13 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.182 0.993 . . . . 0.0 113.231 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HA ' HD21 ' A' ' 55' ' ' LEU . 16.0 tp -55.79 -53.36 57.67 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 120.713 1.597 . . . . 0.0 110.973 -171.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.48 -28.2 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 122.058 0.932 . . . . 0.0 111.664 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.06 -58.71 5.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.165 170.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.1 m -57.78 -25.56 60.68 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.929 -1.107 . . . . 0.0 112.997 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -64.0 -59.67 4.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 124.214 1.006 . . . . 0.0 108.796 170.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -44.67 85.89 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 119.954 1.252 . . . . 0.0 110.669 -173.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.16 -35.81 17.72 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.507 1.523 . . . . 0.0 112.916 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mtm -119.55 -0.94 10.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.463 1.105 . . . . 0.0 112.721 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.1 m 46.49 82.83 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.821 2.049 . . . . 0.0 111.783 -161.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.0 mt -111.75 138.72 47.95 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.975 0.91 . . . . 0.0 108.93 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 p -75.41 160.22 30.5 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.191 0.996 . . . . 0.0 113.08 -167.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -11.53 60.86 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.158 -0.964 . . . . 0.0 111.969 173.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.28 -30.16 62.11 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.386 171.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 pt -68.8 -29.95 45.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.609 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -61.44 -28.47 69.3 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.01 1.277 . . . . 0.0 108.846 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -45.55 57.44 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 119.218 0.917 . . . . 0.0 109.489 171.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.51 -46.37 90.39 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 119.358 0.981 . . . . 0.0 109.777 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -63.87 -46.29 85.62 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 125.228 1.411 . . . . 0.0 111.54 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -62.24 -52.3 64.3 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.487 1.04 . . . . 0.0 110.368 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 81.3 m-20 -74.09 2.36 9.05 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.783 0.833 . . . . 0.0 111.399 -178.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.78 -27.34 68.82 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 119.544 -1.973 . . . . 0.0 111.909 -171.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -94.65 22.61 6.1 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -64.25 -174.92 0.13 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.965 1.306 . . . . 0.0 110.748 168.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.37 54.27 0.89 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.568 2.347 . . . . 0.0 111.388 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.5 17.67 2.34 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.186 1.374 . . . . 0.0 113.378 174.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -62.3 156.72 21.49 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 118.343 1.071 . . . . 0.0 109.888 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -131.24 135.88 47.74 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 125.041 1.336 . . . . 0.0 109.399 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.9 mt -106.93 122.37 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 -170.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -133.12 -26.45 1.7 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 117.746 -1.121 . . . . 0.0 113.332 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -62.23 110.81 1.74 Allowed 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.454 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 2.2 ptm180 -55.81 -24.27 35.13 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.572 1.078 . . . . 0.0 110.768 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.04 -29.36 67.23 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.394 0.677 . . . . 0.0 111.962 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.7 p -71.1 -46.16 62.3 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-N 119.65 1.114 . . . . 0.0 108.73 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.21 -41.53 94.87 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -30.4 65.89 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.991 0.895 . . . . 0.0 112.447 175.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 -53.29 55.93 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.602 1.092 . . . . 0.0 109.887 170.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.9 mt -52.22 -47.78 44.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.274 1.429 . . . . 0.0 108.792 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -59.53 -53.08 62.26 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.566 -0.709 . . . . 0.0 111.526 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.99 -46.78 78.6 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 123.613 0.765 . . . . 0.0 111.092 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' A' ' 16' ' ' LEU . 76.7 mt -55.36 -52.1 64.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.174 0.99 . . . . 0.0 108.666 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.69 -44.9 57.99 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.278 0.631 . . . . 0.0 110.863 176.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.475 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -57.69 -55.76 30.66 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 178.13 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -64.06 -11.78 32.66 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.389 1.476 . . . . 0.0 112.687 -174.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.456 HD11 ' HA ' ' A' ' 12' ' ' PHE . 9.0 mt -96.35 20.95 9.7 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.83 1.252 . . . . 0.0 109.95 175.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' ND2' HD21 ' A' ' 72' ' ' ASN . 45.1 t30 59.39 19.22 7.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.895 2.078 . . . . 0.0 112.35 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -90.0 -17.39 27.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.64 1.109 . . . . 0.0 111.6 -171.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 57' ' ' THR . 1.3 mp . . . . . 0 CA--C 1.498 -1.023 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -172.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.316 0.579 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -74.28 82.68 1.87 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.182 0.993 . . . . 0.0 109.075 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -51.34 -35.19 37.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.098 1.359 . . . . 0.0 113.36 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.4 -44.35 85.04 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.568 0.604 . . . . 0.0 112.477 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.411 HD21 ' ND2' ' A' ' 60' ' ' ASN . 23.1 t30 -85.92 -35.3 20.58 Favored 'General case' 0 N--CA 1.458 -0.048 0 C-N-CA 124.124 0.97 . . . . 0.0 111.014 -174.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.69 -43.97 37.52 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.949 1.7 . . . . 0.0 111.586 168.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.8 ttm -65.04 -40.64 95.09 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.815 0.846 . . . . 0.0 111.834 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -61.19 -42.64 98.94 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 118.884 0.766 . . . . 0.0 109.636 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -53.31 -44.94 68.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 118.164 0.438 . . . . 0.0 110.904 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.59 -56.96 10.54 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.498 0.719 . . . . 0.0 110.165 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -25.13 64.23 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.73 -0.606 . . . . 0.0 111.76 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -54.05 -53.82 47.78 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.534 1.134 . . . . 0.0 110.311 170.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -72.6 -20.21 61.34 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.386 -175.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.72 11.19 6.62 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.593 1.092 . . . . 0.0 113.782 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.83 141.82 54.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 119.04 1.42 . . . . 0.0 110.646 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 153.73 16.67 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 174.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -55.51 32.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.773 1.629 . . . . 0.0 109.174 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 m -65.84 -37.69 86.87 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 124.269 1.028 . . . . 0.0 110.163 -177.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.5 ttp -60.63 -50.52 73.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.91 -31.67 73.02 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.008 -1.058 . . . . 0.0 111.975 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -64.03 -45.79 87.29 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.819 170.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -55.01 -50.4 69.13 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.753 1.221 . . . . 0.0 110.068 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.1 mp -45.56 -60.84 1.96 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.724 1.21 . . . . 0.0 110.962 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.78 -29.84 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.648 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -69.46 -43.26 73.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 121.047 1.749 . . . . 0.0 110.302 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.9 mt -64.02 -50.8 75.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 125.092 1.357 . . . . 0.0 108.055 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.39 -49.73 79.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.429 0.691 . . . . 0.0 110.697 -175.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.13 -32.37 73.73 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.871 0.869 . . . . 0.0 109.84 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.58 -63.08 4.94 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 17.6 m -59.25 -23.56 62.46 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 115.414 -2.231 . . . . 0.0 113.48 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -48.24 -26.69 2.07 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 122.7 2.5 . . . . 0.0 112.349 175.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 -30.14 1.72 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.696 1.198 . . . . 0.0 112.871 176.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -40.37 89.1 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.545 0.611 . . . . 0.0 110.801 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 55.4 m -63.63 117.88 39.16 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -73.95 144.69 34.74 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 121.941 1.76 . . . . 0.0 109.633 165.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -146.91 -174.83 4.59 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.89 0.876 . . . . 0.0 109.859 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.86 168.01 10.91 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 149.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -68.23 3.34 1.71 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.535 1.134 . . . . 0.0 113.877 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.93 94.26 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 162.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -23.92 35.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 O-C-N 120.61 -1.306 . . . . 0.0 113.052 177.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 14.9 m -55.7 -60.81 2.93 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 167.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.7 mm -61.08 -44.33 98.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 125.865 1.666 . . . . 0.0 110.002 -175.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -55.49 -62.25 1.8 Allowed 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.334 1.053 . . . . 0.0 110.952 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.2 m -59.9 -34.27 72.97 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.825 0.739 . . . . 0.0 111.298 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER -50.66 -54.38 23.48 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.777 1.171 . . . . 0.0 110.365 169.195 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.55 -46.51 93.62 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.029 -0.873 . . . . 0.0 111.26 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.08 -49.36 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 118.088 0.944 . . . . 0.0 109.011 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.13 -16.36 61.45 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.494 -1.379 . . . . 0.0 112.267 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.8 m -88.41 -38.92 14.67 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.695 1.598 . . . . 0.0 111.326 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.1 p -59.5 -47.28 86.14 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.458 ' CE2' HD11 ' A' ' 122' ' ' ILE . 81.1 t80 -59.63 -45.92 90.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 117.123 -1.418 . . . . 0.0 109.906 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -44.17 -55.96 4.43 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.129 1.332 . . . . 0.0 110.886 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.6 -38.98 75.83 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.958 0.345 . . . . 0.0 111.094 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -59.9 -40.1 87.66 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 118.597 0.635 . . . . 0.0 111.017 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.458 HD11 ' CE2' ' A' ' 118' ' ' PHE . 5.5 mm -59.11 -50.91 78.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -175.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -58.21 -45.65 87.26 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.741 0.816 . . . . 0.0 110.951 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -64.25 -31.97 73.38 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.753 -0.592 . . . . 0.0 111.292 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.7 mt -82.24 -3.21 54.68 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.887 2.075 . . . . 0.0 111.68 173.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 63.74 18.77 11.35 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.963 2.505 . . . . 0.0 114.018 -177.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -77.98 34.79 0.2 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.804 2.441 . . . . 0.0 113.652 -173.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.429 1 C-N-CA 131.917 4.087 . . . . 0.0 109.165 -156.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.342 0 CA-C-O 119.345 -0.36 . . . . 0.0 111.954 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.12 -58.78 6.28 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.267 1.427 . . . . 0.0 110.186 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -63.52 -44.23 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 121.463 0.649 . . . . 0.0 110.282 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.7 tpt -50.43 -49.58 54.42 Favored 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 124.873 1.269 . . . . 0.0 112.081 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -56.09 -51.39 68.07 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.294 1.406 . . . . 0.0 109.857 176.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -61.77 -32.95 73.26 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.962 1.305 . . . . 0.0 112.496 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -66.18 -45.15 81.89 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.082 0.953 . . . . 0.0 110.228 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -67.99 -26.49 65.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.763 0.711 . . . . 0.0 112.089 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.7 tp -71.72 -51.82 20.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -68.19 -34.18 75.79 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.416 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -56.02 -54.66 42.19 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 122.917 0.487 . . . . 0.0 110.12 170.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.47 4.07 7.38 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-O 117.392 -1.782 . . . . 0.0 115.545 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -52.07 -64.65 0.75 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.521 2.16 . . . . 0.0 110.287 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.474 ' HB1' ' HZ3' ' A' ' 58' ' ' LYS . . . -78.98 18.31 0.64 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.872 1.269 . . . . 0.0 113.282 -174.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.525 ' HA ' HD21 ' A' ' 55' ' ' LEU . 11.3 tp -53.81 -54.98 30.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 124.574 1.149 . . . . 0.0 109.223 -176.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -70.46 -32.5 70.08 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -170.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.18 -51.68 68.73 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 170.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.89 -34.71 76.52 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.549 0.34 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -57.29 -62.01 2.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -37.53 87.21 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.756 1.162 . . . . 0.0 110.808 -176.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.24 -30.32 64.53 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.609 1.163 . . . . 0.0 112.76 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mtm -119.07 -0.73 11.05 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.624 1.169 . . . . 0.0 111.655 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.1 m 48.33 73.02 0.23 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.3 1.84 . . . . 0.0 110.937 -165.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.9 mt -105.65 147.91 27.96 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 169.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.3 p -83.68 178.83 7.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.417 1.103 . . . . 0.0 111.232 -164.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -73.27 -34.05 65.59 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-O 116.79 -1.576 . . . . 0.0 110.144 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.52 43.51 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 124.409 1.068 . . . . 0.0 113.198 -166.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.435 HG22 HG22 ' A' ' 48' ' ' THR . 7.3 pt -60.78 -24.84 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 124.456 1.102 . . . . 0.0 111.432 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -50.72 -38.27 46.36 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 119.69 1.132 . . . . 0.0 110.077 170.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -41.04 69.19 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.334 1.054 . . . . 0.0 108.859 -178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.23 -23.37 62.91 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.176 0.991 . . . . 0.0 111.747 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -87.2 -46.84 9.37 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.995 1.718 . . . . 0.0 109.976 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -65.73 -54.31 28.97 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.722 1.609 . . . . 0.0 110.427 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -79.92 0.49 31.13 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 117.675 -1.155 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -46.79 -41.93 16.22 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 120.656 1.571 . . . . 0.0 112.623 -170.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.443 ' CH2' HG21 ' A' ' 122' ' ' ILE . 69.1 m95 -83.19 8.49 13.07 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 -175.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 156.49 23.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 122.94 1.352 . . . . 0.0 110.134 176.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -80.54 24.14 0.48 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 -165.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 166.55 17.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.374 0.987 . . . . 0.0 112.774 -173.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -74.61 128.8 36.44 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 118.613 1.206 . . . . 0.0 109.972 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -101.56 149.87 23.66 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 123.007 1.384 . . . . 0.0 113.558 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.5 mt -121.23 122.72 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 C-N-CA 128.371 2.669 . . . . 0.0 104.202 -166.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -142.17 -23.58 0.68 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.141 1.164 . . . . 0.0 114.141 -171.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.46 117.14 7.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -53.4 -29.42 34.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.466 1.106 . . . . 0.0 110.195 166.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -58.58 -37.56 76.04 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.277 1.431 . . . . 0.0 111.59 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.435 HG22 HG22 ' A' ' 29' ' ' ILE . 11.8 p -74.61 -36.92 62.96 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 120.051 1.296 . . . . 0.0 109.475 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -54.71 -51.96 49.07 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -31.5 70.23 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 176.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.26 -49.97 72.02 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 120.233 1.378 . . . . 0.0 110.578 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.4 mt -53.1 -50.43 45.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 125.398 1.479 . . . . 0.0 108.277 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.3 ttp -60.35 -44.99 95.04 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.8 t -63.97 -43.37 95.96 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.072 0.549 . . . . 0.0 110.049 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 16' ' ' LEU . 62.9 mt -58.6 -50.81 72.45 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 173.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.8 m -55.0 -42.3 72.32 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.89 1.223 . . . . 0.0 112.0 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.4 m -49.7 -53.58 23.79 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 120.313 1.415 . . . . 0.0 109.483 169.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.474 ' HZ3' ' HB1' ' A' ' 15' ' ' ALA . 3.3 mttp -66.77 -18.03 65.17 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -173.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -93.85 12.09 27.08 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.923 1.692 . . . . 0.0 111.227 170.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 m120 57.66 29.55 17.46 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.905 2.082 . . . . 0.0 111.278 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.3 mtm -79.13 15.04 1.24 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 120.855 -1.153 . . . . 0.0 112.275 -175.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 105.345 -2.095 . . . . 0.0 105.345 176.201 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -91.1 93.79 9.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 173.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -53.35 -35.75 60.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.454 1.102 . . . . 0.0 111.601 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.8 -80.98 0.07 OUTLIER Glycine 0 CA--C 1.525 0.693 0 C-N-CA 126.805 2.145 . . . . 0.0 112.797 166.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.37 -23.23 62.38 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.043 1.421 . . . . 0.0 113.077 -171.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.74 -57.6 10.38 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.547 1.539 . . . . 0.0 110.685 168.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.8 ttm -62.92 -42.82 99.92 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.169 0.988 . . . . 0.0 111.449 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.52 -48.17 82.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -175.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -51.65 -44.17 62.91 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 122.848 0.459 . . . . 0.0 111.009 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.37 -66.06 0.59 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.787 0.835 . . . . 0.0 110.287 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -39.42 72.17 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.149 0.58 . . . . 0.0 110.381 -176.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -50.94 -45.56 60.69 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 126.08 1.752 . . . . 0.0 112.472 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -81.53 -2.71 50.88 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 117.888 -1.053 . . . . 0.0 112.989 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.76 9.32 21.15 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-N 119.429 1.013 . . . . 0.0 113.957 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.51 148.31 49.03 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.475 1.638 . . . . 0.0 111.124 -173.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.61 158.82 34.94 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 172.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.62 -55.0 40.75 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.578 1.551 . . . . 0.0 110.085 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.0 m -59.95 -43.47 94.98 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 123.294 0.638 . . . . 0.0 109.478 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.8 ttt -56.96 -52.14 66.38 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.046 0.938 . . . . 0.0 110.209 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.77 94.27 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 118.791 -0.623 . . . . 0.0 110.123 -176.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -68.19 -33.6 74.74 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.263 175.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.92 -53.54 56.69 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.124 1.37 . . . . 0.0 110.126 175.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.478 HD11 ' HZ3' ' A' ' 127' ' ' TRP . 0.0 OUTLIER -48.45 -49.93 33.35 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.026 0.83 . . . . 0.0 111.174 176.548 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mp -73.93 -33.62 37.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 CA-C-O 117.162 -1.399 . . . . 0.0 110.76 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.09 -40.85 97.13 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 122.855 2.57 . . . . 0.0 112.2 178.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.2 mt -74.61 -47.68 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 124.16 0.984 . . . . 0.0 108.345 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.6 t -61.08 -56.14 19.93 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 123.544 0.738 . . . . 0.0 109.726 177.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -59.39 -30.23 68.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.145 0.978 . . . . 0.0 110.795 -175.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.92 -66.33 2.47 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 171.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 6.8 m -45.42 -36.08 4.1 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 116.42 -1.752 . . . . 0.0 111.713 177.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -47.91 -28.04 2.47 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 122.36 2.345 . . . . 0.0 114.665 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.67 -30.65 2.52 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 124.902 1.281 . . . . 0.0 113.051 176.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.4 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . 42.5 m -52.05 -44.02 64.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.465 1.106 . . . . 0.0 110.703 167.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.9 m -76.34 124.34 88.07 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 123.294 0.638 . . . . 0.0 110.143 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.8 141.02 18.95 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.503 2.802 . . . . 0.0 109.914 166.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.77 166.99 31.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.301 1.441 . . . . 0.0 109.156 171.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.544 HD21 HG21 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -70.93 169.71 14.25 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 159.077 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -66.29 -6.76 15.1 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.492 1.117 . . . . 0.0 113.613 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.41 93.46 0.07 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 172.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.68 -32.66 1.57 Allowed 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 127.72 2.408 . . . . 0.0 113.69 169.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 61.0 m -61.02 -53.82 52.49 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.27 1.395 . . . . 0.0 109.018 171.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.544 HG21 HD21 ' A' ' 104' ' ' ASN . 7.4 mm -61.33 -51.45 72.9 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 C-N-CA 125.191 1.396 . . . . 0.0 109.125 -175.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -50.75 -57.9 7.21 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 126.132 1.773 . . . . 0.0 111.238 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.0 m -63.25 -32.72 74.2 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.056 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -56.21 22.99 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.304 1.442 . . . . 0.0 109.517 167.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.84 -40.71 99.19 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-O 119.265 -0.742 . . . . 0.0 112.231 -175.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 75.0 t -59.69 -47.47 91.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 125.158 1.383 . . . . 0.0 108.718 175.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.19 98.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 121.38 -0.825 . . . . 0.0 111.059 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.4 m -70.44 -35.71 73.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.236 -0.888 . . . . 0.0 112.267 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.2 p -67.36 -43.95 80.22 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.872 1.669 . . . . 0.0 109.251 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -57.56 -46.49 83.88 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.015 1.326 . . . . 0.0 111.644 176.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -41.48 -59.26 1.64 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.377 1.471 . . . . 0.0 109.802 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.12 -40.49 64.24 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.609 0.764 . . . . 0.0 112.075 -172.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -59.02 -43.11 91.52 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 126.036 1.734 . . . . 0.0 110.945 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.443 HG21 ' CH2' ' A' ' 37' ' ' TRP . 16.3 mm -61.84 -40.59 87.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 123.354 0.662 . . . . 0.0 109.484 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -61.95 -42.85 99.59 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.066 -0.396 . . . . 0.0 110.864 171.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -60.43 -38.53 84.39 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.72 -1.237 . . . . 0.0 111.01 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.5 mt -73.15 -11.63 60.6 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.033 1.333 . . . . 0.0 111.334 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 59.5 t30 72.12 20.22 4.32 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.649 2.38 . . . . 0.0 112.641 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.478 ' HZ3' HD11 ' A' ' 90' ' ' LEU . 42.5 m0 -84.26 16.09 3.21 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.337 1.855 . . . . 0.0 112.206 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.844 0 C-N-CA 126.933 2.093 . . . . 0.0 109.074 -178.529 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 118.239 -0.886 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.71 -57.69 7.7 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.328 1.051 . . . . 0.0 111.415 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 p -69.98 -38.15 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 124.0 0.92 . . . . 0.0 111.647 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -44.9 67.33 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.543 0.737 . . . . 0.0 111.034 173.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -62.18 -47.51 84.17 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 124.782 1.233 . . . . 0.0 109.783 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -62.75 -36.46 83.11 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.12 0.968 . . . . 0.0 111.585 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 82' ' ' ALA . 13.0 mt -66.85 -50.64 61.88 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 126.22 1.808 . . . . 0.0 109.867 175.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -57.27 -35.89 70.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.533 1.133 . . . . 0.0 109.988 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.3 tp -69.04 -53.23 21.54 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.806 1.243 . . . . 0.0 108.656 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -66.43 -36.4 82.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.85 -173.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.41 -50.11 74.88 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.984 0.914 . . . . 0.0 108.858 172.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.09 22.36 2.45 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.956 1.265 . . . . 0.0 114.892 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -65.69 -63.02 1.19 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 120.037 1.919 . . . . 0.0 111.468 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.61 26.42 0.05 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.699 1.6 . . . . 0.0 113.767 -174.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -55.14 -54.02 48.58 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 124.759 1.224 . . . . 0.0 111.015 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 20' ' ' LYS . 36.5 t70 -63.26 -39.04 93.47 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.989 0.813 . . . . 0.0 111.97 -176.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.7 -55.16 38.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 175.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -57.51 -38.31 74.41 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.132 0.973 . . . . 0.0 113.002 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 4.5 mtpt -56.26 -50.31 71.7 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.655 1.182 . . . . 0.0 109.81 176.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -73.43 -40.01 64.56 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.622 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.4 -34.49 66.78 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.063 1.745 . . . . 0.0 111.651 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.0 mtm -122.95 -6.57 8.44 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.597 -172.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m 60.91 85.33 0.12 Allowed 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.083 1.753 . . . . 0.0 110.465 -168.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -123.27 142.06 51.33 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -82.59 -176.57 6.32 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.547 0.612 . . . . 0.0 110.876 -171.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -9.25 57.37 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 119.934 -1.729 . . . . 0.0 112.706 176.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -27.92 69.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.486 0.314 . . . . 0.0 111.047 175.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.5 pt -65.3 -27.95 43.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 121.081 -1.012 . . . . 0.0 111.573 170.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -69.87 -40.09 75.92 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.748 1.219 . . . . 0.0 108.063 -176.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.41 -44.52 92.83 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.164 1.386 . . . . 0.0 110.237 169.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -55.85 24.9 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -60.96 -35.21 76.17 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.157 0.983 . . . . 0.0 111.677 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -63.33 -53.41 53.07 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.571 0.749 . . . . 0.0 109.944 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -69.5 -36.49 76.52 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 115.856 -2.021 . . . . 0.0 110.481 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -24.72 -51.35 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.35 1 C-N-CA 131.899 4.08 . . . . 0.0 114.382 -156.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.5 ' CH2' HG21 ' A' ' 122' ' ' ILE . 50.1 m95 -66.72 26.09 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.499 1.52 . . . . 0.0 113.652 171.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -86.77 146.35 26.28 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-O 122.775 1.274 . . . . 0.0 108.85 -176.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.32 102.93 0.1 Allowed 'General case' 0 N--CA 1.433 -1.307 0 C-N-CA 127.482 2.313 . . . . 0.0 107.43 158.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.58 -16.46 49.69 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 117.937 -1.48 . . . . 0.0 116.784 162.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -52.57 145.55 11.54 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 120.147 1.974 . . . . 0.0 109.961 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -111.11 142.47 43.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 123.431 1.586 . . . . 0.0 113.617 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.452 HG22 ' CD1' ' A' ' 112' ' ' LEU . 38.6 mt -121.89 103.86 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 C-N-CA 128.282 2.633 . . . . 0.0 105.049 -170.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -130.99 -10.89 3.79 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.327 0.651 . . . . 0.0 111.842 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.17 107.75 1.66 Allowed 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.613 1.565 . . . . 0.0 110.463 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -54.27 -25.39 23.23 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 121.146 -0.971 . . . . 0.0 112.733 173.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.98 -28.47 67.47 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.997 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.5 p -68.24 -41.11 81.67 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.958 1.254 . . . . 0.0 108.152 171.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.7 -51.73 53.1 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.167 1.365 . . . . 0.0 112.172 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -31.02 70.97 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.698 -0.884 . . . . 0.0 112.023 175.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.31 -52.19 66.69 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.22 0.918 . . . . 0.0 109.928 171.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.2 mt -51.15 -50.59 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 125.738 1.615 . . . . 0.0 108.892 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -43.07 91.62 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.231 0.468 . . . . 0.0 111.304 -177.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.2 -45.92 91.22 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.83 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.6 mt -54.86 -52.02 64.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.684 1.129 . . . . 0.0 108.946 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.4 m -50.42 -56.55 10.97 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.895 0.878 . . . . 0.0 111.911 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -44.4 90.81 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.681 1.128 . . . . 0.0 110.766 -177.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -64.6 -8.62 14.88 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.45 1.5 . . . . 0.0 113.314 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.4 mt -112.59 17.59 19.06 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.581 1.552 . . . . 0.0 110.24 175.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.458 HD22 ' ND2' ' A' ' 72' ' ' ASN . 9.2 t30 53.18 49.43 19.96 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 127.712 2.405 . . . . 0.0 111.304 -173.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.0 mtm -110.25 3.57 20.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 117.772 -1.108 . . . . 0.0 113.35 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.0 mt . . . . . 0 CA--C 1.515 -0.393 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 170.732 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 C--O 1.231 0.121 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -79.28 91.0 4.97 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.855 0.862 . . . . 0.0 109.813 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -59.57 -36.67 76.67 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -174.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.01 -60.35 8.18 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 174.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.458 ' ND2' HD22 ' A' ' 60' ' ' ASN . 3.8 m120 -58.99 -37.79 77.64 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.098 0.959 . . . . 0.0 111.454 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.25 -54.45 44.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.959 1.304 . . . . 0.0 110.731 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.6 ttm -61.33 -39.47 90.66 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.636 1.175 . . . . 0.0 111.758 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -56.59 -35.71 68.54 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.842 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.97 -36.23 81.72 Favored 'General case' 0 CA--C 1.523 -0.075 0 C-N-CA 123.812 0.845 . . . . 0.0 109.89 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.07 -56.08 17.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.66 9.9 0.58 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.116 1.367 . . . . 0.0 112.94 171.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -93.21 -26.74 17.24 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.375 -1.453 . . . . 0.0 111.098 168.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -105.35 -9.33 17.66 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.283 1.433 . . . . 0.0 112.788 -175.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.53 20.93 33.19 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-O 118.879 -0.956 . . . . 0.0 113.527 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB2' HD11 ' A' ' 8' ' ' LEU . . . -61.63 153.27 28.42 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 119.56 1.68 . . . . 0.0 108.194 170.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.63 164.0 25.01 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -74.77 -45.65 42.31 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.207 -0.933 . . . . 0.0 110.062 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.0 m -60.85 -40.16 91.84 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.603 0.638 . . . . 0.0 110.296 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.0 ttt -57.74 -51.35 69.92 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.23 -32.03 72.8 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.509 HE22 ' HB2' ' A' ' 92' ' ' ASP . 5.2 tm0? -59.9 -56.88 16.24 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 172.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -54.56 -44.94 73.37 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 125.267 1.427 . . . . 0.0 111.771 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.59 -13.53 22.63 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 117.555 -1.212 . . . . 0.0 112.618 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -102.17 -42.91 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-O 116.332 -1.794 . . . . 0.0 111.305 165.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.509 ' HB2' HE22 ' A' ' 88' ' ' GLN . 10.5 t70 -53.48 -48.53 68.83 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 121.666 2.03 . . . . 0.0 110.291 -177.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.39 -45.89 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 O-C-N 124.939 1.399 . . . . 0.0 108.323 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 79.5 t -67.81 -55.54 16.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 C-N-CA 125.519 1.528 . . . . 0.0 110.187 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -55.31 -41.4 72.34 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.72 1.208 . . . . 0.0 108.824 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -74.99 7.32 22.35 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 128.634 3.016 . . . . 0.0 113.912 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.6 m -120.93 -30.47 4.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.936 1.695 . . . . 0.0 110.59 165.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.87 -28.41 6.49 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 121.962 2.164 . . . . 0.0 113.975 -176.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.1 -47.93 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 m -51.76 -39.07 57.9 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 127.604 2.362 . . . . 0.0 114.295 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.4 m -74.17 114.78 36.5 Favored Pre-proline 0 N--CA 1.445 -0.701 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.13 129.06 16.58 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.071 1.847 . . . . 0.0 108.124 174.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -156.27 164.53 38.21 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.334 1.454 . . . . 0.0 108.786 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.432 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 77.3 m-20 -64.23 179.85 0.52 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.745 1.618 . . . . 0.0 113.344 177.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.85 -38.54 2.2 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 128.143 2.577 . . . . 0.0 112.576 147.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.432 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 48.8 t0 -66.82 90.24 0.17 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 124.401 1.08 . . . . 0.0 109.925 -167.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.505 ' HD3' ' CE3' ' A' ' 110' ' ' TRP . 9.5 mmtp -56.69 -20.73 23.21 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.525 -1.359 . . . . 0.0 112.844 -173.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 59.0 m -61.36 -56.04 24.77 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.87 0.759 . . . . 0.0 110.53 167.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.7 mm -56.17 -51.48 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.175 1.39 . . . . 0.0 108.576 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.505 ' CE3' ' HD3' ' A' ' 107' ' ' LYS . 33.0 t90 -52.43 -56.26 16.24 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 125.762 1.625 . . . . 0.0 111.598 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.7 m -66.05 -34.88 79.09 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.811 0.732 . . . . 0.0 111.595 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.452 ' CD1' HG22 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -52.27 -52.92 49.99 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 167.631 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.93 -38.89 93.16 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-O 118.333 -1.26 . . . . 0.0 113.23 -171.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.08 -42.9 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 124.61 1.164 . . . . 0.0 108.758 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.11 79.3 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.925 175.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 56.0 m -64.63 -46.17 83.68 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 121.11 1.777 . . . . 0.0 112.676 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.8 p -63.32 -52.18 62.93 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 118.638 0.654 . . . . 0.0 109.586 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.403 ' CE1' HD11 ' A' ' 122' ' ' ILE . 50.4 t80 -50.34 -49.51 53.75 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.776 1.23 . . . . 0.0 110.991 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -51.12 -52.85 39.87 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.168 0.987 . . . . 0.0 110.954 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.68 -41.05 55.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.191 0.45 . . . . 0.0 111.213 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.1 -41.18 95.21 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 117.867 -1.063 . . . . 0.0 110.946 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.5 HG21 ' CH2' ' A' ' 37' ' ' TRP . 11.9 mm -59.01 -45.95 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 120.316 1.416 . . . . 0.0 109.573 177.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -59.35 -49.54 77.43 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 119.106 -0.473 . . . . 0.0 110.921 174.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -55.32 -44.55 75.95 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.553 1.07 . . . . 0.0 110.874 174.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 27.7 mt -64.96 -7.67 12.59 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 126.893 2.077 . . . . 0.0 112.009 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.5 t30 56.09 37.75 29.17 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.94 1.696 . . . . 0.0 111.045 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -92.89 13.53 20.22 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.728 2.411 . . . . 0.0 112.177 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.321 0 C-N-CA 131.452 3.901 . . . . 0.0 108.006 -158.478 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 118.94 -0.552 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -52.96 -47.83 67.83 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.788 1.235 . . . . 0.0 110.077 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.442 HG12 ' CD1' ' A' ' 8' ' ' LEU . 55.2 t -65.33 -53.42 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 124.522 1.129 . . . . 0.0 109.334 174.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.3 tpt -56.56 -37.2 70.22 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 119.839 -1.788 . . . . 0.0 111.389 -173.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -36.77 72.31 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.357 175.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -57.62 -36.87 72.38 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.422 1.089 . . . . 0.0 112.032 169.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.442 ' CD1' HG12 ' A' ' 4' ' ' VAL . 4.9 mp -64.19 -49.3 72.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -31.58 70.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.49 1.116 . . . . 0.0 111.055 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 tp -67.24 -37.2 83.16 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.873 1.269 . . . . 0.0 109.068 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -95.29 -28.36 15.03 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.011 -170.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.44 -52.39 65.41 Favored 'General case' 0 N--CA 1.442 -0.846 0 O-C-N 121.807 -0.558 . . . . 0.0 109.547 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.48 21.49 17.53 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 117.542 -1.699 . . . . 0.0 114.469 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -49.0 -51.66 29.38 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 121.134 2.467 . . . . 0.0 110.494 173.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.33 16.43 2.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.977 1.311 . . . . 0.0 112.855 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -56.25 13.86 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 119.952 1.251 . . . . 0.0 110.373 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -25.64 59.45 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 118.95 -1.1 . . . . 0.0 109.889 -169.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.82 -59.29 5.36 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 172.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.68 -23.08 39.4 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.547 1.539 . . . . 0.0 112.814 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HG3' HD11 ' A' ' 29' ' ' ILE . 10.8 mtpp -66.6 -60.08 3.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 121.208 -0.932 . . . . 0.0 109.897 168.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -64.27 -32.81 74.55 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.311 0.959 . . . . 0.0 111.553 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.11 -30.4 59.64 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 124.897 1.279 . . . . 0.0 113.688 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.7 mtm -126.96 1.42 6.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.476 1.11 . . . . 0.0 113.103 -170.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.4 m 43.18 83.97 0.02 OUTLIER 'General case' 0 C--O 1.242 0.671 0 C-N-CA 125.733 1.613 . . . . 0.0 111.414 -157.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.4 mt -112.7 151.91 29.67 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.176 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.7 p -81.08 173.91 12.11 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.593 1.557 . . . . 0.0 111.645 -168.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -92.17 -6.28 50.99 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.38 -1.45 . . . . 0.0 111.315 172.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.69 -26.55 65.67 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.759 0.824 . . . . 0.0 111.513 165.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.587 ' HB ' HG22 ' A' ' 48' ' ' THR . 2.5 pt -75.83 -32.48 23.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 CA-C-N 119.01 0.823 . . . . 0.0 110.741 173.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -35.82 63.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.238 166.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.72 -11.69 60.23 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 174.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -78.6 -72.13 0.39 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.771 1.229 . . . . 0.0 108.007 162.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -44.44 -44.19 8.27 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.029 1.732 . . . . 0.0 112.555 -173.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -58.05 -54.41 47.24 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.123 1.769 . . . . 0.0 112.337 175.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -94.21 8.67 40.89 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.993 2.117 . . . . 0.0 112.135 -172.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -54.06 -29.4 43.96 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.208 1.403 . . . . 0.0 112.105 -173.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -106.2 24.85 11.8 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.173 2.189 . . . . 0.0 114.455 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -65.98 162.47 19.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 120.502 -1.374 . . . . 0.0 110.467 168.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.2 24.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.984 2.514 . . . . 0.0 116.946 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 169.01 15.17 0.02 OUTLIER Glycine 0 N--CA 1.464 0.516 0 O-C-N 121.01 -1.056 . . . . 0.0 113.612 173.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -71.35 126.83 30.67 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 117.301 0.55 . . . . 0.0 111.891 -170.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -101.11 158.04 16.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.139 0.976 . . . . 0.0 112.633 163.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.419 HG22 ' CD1' ' A' ' 112' ' ' LEU . 47.4 mt -129.12 110.47 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 129.037 2.935 . . . . 0.0 105.872 -157.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 11.7 mmpt? -122.89 -18.36 6.49 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -171.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.468 ' HB2' HG23 ' A' ' 48' ' ' THR . 7.3 m120 -78.38 110.75 13.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 120.402 1.455 . . . . 0.0 109.507 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -21.79 47.95 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 120.452 -1.405 . . . . 0.0 112.121 169.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -57.43 -33.07 67.53 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.023 172.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.587 HG22 ' HB ' ' A' ' 29' ' ' ILE . 6.2 p -70.96 -42.0 70.32 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 120.459 1.481 . . . . 0.0 109.08 177.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.8 -50.23 32.5 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.267 1.413 . . . . 0.0 111.282 171.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -30.62 67.07 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 118.123 -0.941 . . . . 0.0 113.396 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.58 -52.73 64.21 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 120.329 1.422 . . . . 0.0 108.753 167.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.425 HD13 ' HB2' ' A' ' 115' ' ' ALA . 41.8 mt -50.02 -45.36 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-N 119.624 1.102 . . . . 0.0 109.936 -176.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.1 ttp -61.63 -48.79 79.28 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.729 0.695 . . . . 0.0 111.639 174.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.9 t -56.01 -57.21 13.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.446 1.098 . . . . 0.0 112.167 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -49.58 -46.73 49.39 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.181 1.392 . . . . 0.0 111.817 172.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.1 m -53.11 -53.34 51.85 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.008 0.822 . . . . 0.0 111.222 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -50.1 -52.66 33.06 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.178 0.899 . . . . 0.0 110.771 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -63.93 -14.62 55.08 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -171.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -104.39 10.03 35.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 119.232 0.923 . . . . 0.0 111.583 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t30 58.47 36.36 25.27 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.922 1.689 . . . . 0.0 110.338 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 34.3 mtp -89.33 -6.44 56.69 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.789 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 171.043 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.0 tp . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -84.51 92.74 8.17 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.739 1.216 . . . . 0.0 109.658 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -50.42 -34.59 25.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -172.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.17 -72.25 0.67 Allowed Glycine 0 C--N 1.339 0.7 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -45.82 -41.69 11.35 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.077 1.351 . . . . 0.0 113.711 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.15 -50.37 61.88 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.454 0.702 . . . . 0.0 110.738 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 16.5 ttm -74.5 -30.82 61.96 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.925 1.29 . . . . 0.0 112.166 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -58.12 -52.16 66.7 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 173.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -49.17 -46.48 45.48 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 126.747 2.019 . . . . 0.0 109.136 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HB1' ' HB2' ' A' ' 87' ' ' ALA . . . -60.25 -65.15 0.73 Allowed 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 122.757 0.423 . . . . 0.0 110.427 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -56.44 -38.24 71.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.212 1.005 . . . . 0.0 109.736 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -53.71 -57.85 9.32 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 127.0 2.12 . . . . 0.0 111.789 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -74.35 -3.56 31.09 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.681 -0.676 . . . . 0.0 112.153 -171.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.06 4.62 12.31 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 127.025 2.25 . . . . 0.0 113.229 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.9 156.55 34.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 119.58 1.69 . . . . 0.0 112.056 -167.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.77 162.41 18.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 113.32 -1.764 . . . . 0.0 108.137 -176.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.4 -59.24 5.57 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.238 1.815 . . . . 0.0 111.268 -175.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.4 m -69.55 -30.97 68.9 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.691 -0.631 . . . . 0.0 110.489 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.425 ' O ' HD22 ' A' ' 90' ' ' LEU . 8.1 ttt -55.7 -59.49 4.78 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 170.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.409 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . . . -61.73 -33.17 73.56 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.085 -174.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -62.7 -46.9 85.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.872 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -49.62 -60.29 3.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.343 174.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.425 HD22 ' O ' ' A' ' 86' ' ' MET . 2.9 mm? -50.94 -47.09 61.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 120.026 1.285 . . . . 0.0 112.998 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.19 -39.11 80.68 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 118.744 -1.182 . . . . 0.0 109.713 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -60.31 -43.75 96.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 120.345 1.429 . . . . 0.0 110.693 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.422 HG21 ' HG2' ' A' ' 121' ' ' GLU . 3.3 mt -70.61 -47.58 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 118.625 0.648 . . . . 0.0 109.74 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.7 t -59.85 -60.79 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -56.53 -33.7 66.32 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.401 1.08 . . . . 0.0 109.357 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.42 -67.65 2.02 Favored Glycine 0 C--N 1.338 0.689 0 C-N-CA 126.353 1.93 . . . . 0.0 111.375 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.8 m -48.88 -36.16 16.42 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.024 1.729 . . . . 0.0 110.376 175.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.58 -13.0 2.05 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 121.643 2.02 . . . . 0.0 113.424 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.93 -43.04 2.36 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.293 1.406 . . . . 0.0 111.711 166.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 m -53.25 -38.25 62.82 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.958 1.303 . . . . 0.0 112.29 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -75.11 120.4 81.45 Favored Pre-proline 0 N--CA 1.447 -0.578 0 CA-C-N 118.577 0.626 . . . . 0.0 109.477 174.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -81.17 145.75 15.48 Favored 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 122.957 2.438 . . . . 0.0 108.879 170.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.07 164.3 38.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.755 0.822 . . . . 0.0 109.113 168.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.9 169.92 1.74 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.729 151.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -57.65 -9.32 1.13 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.232 2.213 . . . . 0.0 113.343 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.59 94.98 0.07 Allowed 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.957 -1.089 . . . . 0.0 108.155 173.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.542 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -54.75 -29.84 54.88 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.998 -1.064 . . . . 0.0 110.955 178.274 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.47 -57.02 13.83 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.18 -50.37 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.931 1.292 . . . . 0.0 109.188 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.542 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 35.9 t90 -51.5 -61.47 2.22 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 125.687 1.595 . . . . 0.0 111.083 178.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 m -62.58 -34.47 77.04 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.154 0.582 . . . . 0.0 111.503 -175.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.419 ' CD1' HG22 ' A' ' 43' ' ' ILE . 1.1 tp -57.89 -51.92 67.63 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.209 1.404 . . . . 0.0 109.351 169.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.36 -41.3 98.41 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.08 -0.844 . . . . 0.0 111.25 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.32 -51.42 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 124.094 0.958 . . . . 0.0 108.836 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -61.93 -31.24 71.55 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 118.813 -0.613 . . . . 0.0 111.406 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.4 m -68.88 -48.5 63.24 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.499 1.045 . . . . 0.0 111.378 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.9 p -67.33 -42.46 83.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.878 0.763 . . . . 0.0 110.515 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -58.41 -55.44 34.94 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.825 1.25 . . . . 0.0 110.729 176.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -43.15 -58.74 2.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.579 1.551 . . . . 0.0 109.634 175.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.53 -21.91 29.43 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -175.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.422 ' HG2' HG21 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -75.79 -44.99 38.6 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.168 1.387 . . . . 0.0 109.518 178.423 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 26.1 mm -59.02 -37.38 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 125.98 1.712 . . . . 0.0 108.08 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -59.6 -50.83 72.35 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.8 1.24 . . . . 0.0 112.64 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -48.83 -54.97 13.02 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 121.154 1.797 . . . . 0.0 110.826 172.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.91 -3.05 14.23 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.692 1.197 . . . . 0.0 113.397 -176.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.0 t30 56.95 22.81 7.57 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.877 2.071 . . . . 0.0 112.868 -178.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 50.8 m0 -73.25 12.0 0.65 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.161 1.385 . . . . 0.0 111.882 172.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.582 1.953 . . . . 0.0 107.052 176.229 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 117.682 -1.151 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -49.4 -50.35 40.79 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.001 1.381 . . . . 0.0 109.807 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.28 -39.02 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.533 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -46.42 74.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.926 0.89 . . . . 0.0 109.986 176.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -60.96 -46.3 91.25 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 117.706 -1.14 . . . . 0.0 110.966 175.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -66.27 -33.81 76.59 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.684 1.129 . . . . 0.0 112.607 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.82 -52.94 62.13 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 173.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -65.34 -0.35 1.8 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.167 1.387 . . . . 0.0 112.718 175.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 tp -101.27 -57.54 2.07 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.776 1.23 . . . . 0.0 109.037 174.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -63.94 -27.79 69.38 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.341 1.456 . . . . 0.0 112.294 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -57.56 -52.94 63.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 168.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.97 27.12 2.71 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.649 1.595 . . . . 0.0 114.201 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -67.02 -65.27 0.7 Allowed 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 119.637 1.719 . . . . 0.0 110.452 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.61 44.92 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.14 0.976 . . . . 0.0 110.939 -175.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -69.53 -55.57 9.81 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.042 -1.037 . . . . 0.0 110.06 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -68.54 -26.67 65.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.196 0.907 . . . . 0.0 111.114 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.96 -72.34 0.07 Allowed 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 124.441 1.096 . . . . 0.0 108.283 164.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.3 m -55.63 -26.84 46.44 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.806 1.242 . . . . 0.0 113.882 -177.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -62.95 -49.44 74.73 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.865 1.266 . . . . 0.0 109.922 170.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -72.63 -34.2 67.17 Favored 'General case' 0 N--CA 1.424 -1.734 0 C-N-CA 125.813 1.645 . . . . 0.0 109.93 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.41 -43.58 92.98 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 120.809 1.64 . . . . 0.0 110.531 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.8 mtm -121.17 7.18 10.24 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -167.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m 47.52 77.66 0.09 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.99 1.716 . . . . 0.0 110.309 -171.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.5 mt -114.9 140.15 49.21 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 106.201 -1.777 . . . . 0.0 106.201 176.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.1 p -82.21 -177.19 6.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.22 1.01 . . . . 0.0 110.939 -161.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -19.76 61.25 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 118.186 -0.911 . . . . 0.0 112.503 171.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.25 -24.74 67.77 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.046 1.294 . . . . 0.0 112.079 -171.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.0 pt -68.25 -24.52 29.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-O 118.335 -0.841 . . . . 0.0 111.455 174.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -66.9 -27.65 67.67 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 120.314 1.416 . . . . 0.0 108.634 172.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.0 -40.36 62.99 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 120.61 1.55 . . . . 0.0 109.964 171.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -65.81 -42.53 90.53 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 118.85 0.75 . . . . 0.0 110.105 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.96 -32.36 61.7 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.193 1.397 . . . . 0.0 112.67 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -62.44 1.54 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 170.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -70.39 -3.39 17.28 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 116.373 -1.775 . . . . 0.0 112.159 -176.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -43.62 -61.93 1.25 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 121.698 2.044 . . . . 0.0 110.518 -170.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.416 ' CH2' HG21 ' A' ' 122' ' ' ILE . 49.6 m95 -72.52 17.06 0.12 Allowed 'General case' 0 C--O 1.239 0.545 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -56.49 161.56 2.6 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 120.821 1.646 . . . . 0.0 109.111 167.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -58.87 111.67 1.37 Allowed 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 113.197 -1.82 . . . . 0.0 107.549 152.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.4 -6.96 62.39 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-O 117.254 -1.859 . . . . 0.0 117.077 159.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -50.41 132.12 24.75 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 120.77 2.285 . . . . 0.0 112.917 -171.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -102.49 141.17 35.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-O 122.729 1.252 . . . . 0.0 111.697 170.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.8 mt -113.24 120.17 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 -172.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.32 -16.54 7.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 118.887 -0.578 . . . . 0.0 111.802 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -59.95 105.15 0.36 Allowed 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -53.64 -25.52 18.19 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 123.239 0.616 . . . . 0.0 111.232 164.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.12 -32.83 68.49 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.32 1.048 . . . . 0.0 110.379 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.6 p -67.0 -46.76 73.55 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.16 -55.34 16.0 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 125.18 1.372 . . . . 0.0 110.662 174.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -40.69 93.24 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 122.13 -0.63 . . . . 0.0 111.951 177.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.86 -57.19 14.15 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.073 0.851 . . . . 0.0 109.699 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.0 mt -48.41 -45.73 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 126.889 2.076 . . . . 0.0 109.816 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 41.5 ttp -57.72 -53.94 52.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.423 0.689 . . . . 0.0 110.147 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.1 t -60.52 -38.84 85.69 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.196 0.599 . . . . 0.0 111.821 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.44 -52.24 66.06 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 176.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.83 -48.53 50.89 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.993 1.317 . . . . 0.0 109.901 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.431 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 2.6 m -51.86 -56.17 15.67 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -67.4 -16.75 64.41 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.292 1.437 . . . . 0.0 114.059 -170.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.37 6.64 19.27 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 120.55 1.523 . . . . 0.0 111.476 169.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.611 ' HB3' HD22 ' A' ' 72' ' ' ASN . 2.3 t30 63.08 24.21 14.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.865 2.066 . . . . 0.0 111.356 -170.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 56.2 mtm -80.96 -5.29 57.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.947 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 57' ' ' THR . 1.9 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -175.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 C--O 1.234 0.251 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -78.59 96.15 5.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.168 1.387 . . . . 0.0 108.991 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -44.95 -54.17 6.83 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 126.63 1.972 . . . . 0.0 112.155 -177.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.89 -64.21 4.33 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 123.706 0.669 . . . . 0.0 111.851 -176.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.611 HD22 ' HB3' ' A' ' 60' ' ' ASN . 4.5 m-20 -63.96 -36.45 83.99 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 123.235 0.614 . . . . 0.0 112.365 -176.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.63 -47.16 77.08 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.163 0.585 . . . . 0.0 111.133 171.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ttm -69.43 -40.53 77.18 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.261 0.482 . . . . 0.0 111.289 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.83 -45.57 89.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 118.163 0.438 . . . . 0.0 109.864 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -53.36 -46.12 69.43 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.471 0.708 . . . . 0.0 110.305 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.09 -63.18 1.4 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.263 0.625 . . . . 0.0 111.094 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -55.46 -45.2 76.9 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 123.526 0.73 . . . . 0.0 110.214 -172.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -45.84 -49.06 15.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.77 1.628 . . . . 0.0 111.972 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -70.76 -11.77 61.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.631 -175.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.48 6.1 20.16 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.167 1.365 . . . . 0.0 112.2 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.95 152.22 46.15 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 119.068 1.434 . . . . 0.0 110.354 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.64 159.38 33.55 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 125.002 1.321 . . . . 0.0 109.346 170.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -59.85 -50.8 72.38 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 124.888 1.275 . . . . 0.0 111.572 169.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.5 m -61.46 -47.08 87.31 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.9 ttp -54.7 -55.2 32.38 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.74 70.39 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.852 -1.155 . . . . 0.0 112.577 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -54.33 31.24 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 117.938 -1.03 . . . . 0.0 108.613 172.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -48.66 -55.96 9.85 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.702 1.601 . . . . 0.0 110.989 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 mp -46.17 -54.35 8.84 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.05 1.34 . . . . 0.0 111.27 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.09 -37.57 72.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.43 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.22 -33.97 77.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 120.766 1.621 . . . . 0.0 111.67 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.407 HD13 ' CD ' ' A' ' 121' ' ' GLU . 23.8 mt -81.02 -52.53 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 C-N-CA 124.782 1.233 . . . . 0.0 109.006 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.0 t -56.72 -55.7 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 119.246 0.93 . . . . 0.0 108.558 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -59.28 -36.21 75.16 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.034 -1.041 . . . . 0.0 110.498 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.36 22.48 7.28 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 128.596 2.998 . . . . 0.0 113.578 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.7 m -130.17 -50.07 1.1 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 128.017 2.527 . . . . 0.0 105.927 168.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.64 -30.01 0.34 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 121.367 1.894 . . . . 0.0 115.023 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.36 -26.66 4.22 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.683 1.129 . . . . 0.0 112.818 171.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -35.37 79.97 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.177 0.898 . . . . 0.0 111.0 -178.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 m -63.95 122.82 79.45 Favored Pre-proline 0 N--CA 1.44 -0.97 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 173.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.72 145.45 32.63 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.91 1.74 . . . . 0.0 108.274 163.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -158.05 173.09 17.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 122.881 0.473 . . . . 0.0 110.398 177.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -63.66 173.94 1.54 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 162.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -69.64 -5.8 27.1 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.95 0.9 . . . . 0.0 112.587 158.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -64.82 100.26 0.39 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 167.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -33.55 9.47 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.837 1.655 . . . . 0.0 113.193 173.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 39.5 m -66.34 -46.55 76.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.003 0.82 . . . . 0.0 110.151 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.1 mm -63.9 -47.78 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.2 1.0 . . . . 0.0 108.559 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 34.3 t90 -48.56 -65.87 0.5 Allowed 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 125.904 1.681 . . . . 0.0 111.628 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 92.3 m -63.66 -23.93 67.58 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 118.846 -1.142 . . . . 0.0 111.617 -175.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -56.81 17.25 Favored 'General case' 0 C--N 1.343 0.314 0 O-C-N 120.774 -1.204 . . . . 0.0 109.843 171.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.61 96.39 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-O 119.279 -0.734 . . . . 0.0 111.417 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 38.0 t -56.72 -55.99 16.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 124.739 1.216 . . . . 0.0 107.965 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.94 -32.55 73.06 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 121.348 -0.845 . . . . 0.0 111.418 -177.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.4 m -74.0 -14.12 60.97 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.834 1.197 . . . . 0.0 112.209 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.6 p -83.87 -44.92 13.8 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.758 1.617 . . . . 0.0 110.919 161.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -58.16 -14.85 7.8 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 171.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -73.77 -63.01 1.3 Allowed 'General case' 0 C--O 1.224 -0.248 0 O-C-N 118.75 -2.469 . . . . 0.0 108.382 170.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.45 -43.95 68.5 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 124.555 1.142 . . . . 0.0 112.194 -166.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.407 ' CD ' HD13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -53.53 -41.88 66.86 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.084 1.354 . . . . 0.0 112.242 179.488 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.416 HG21 ' CH2' ' A' ' 37' ' ' TRP . 27.5 mm -64.13 -47.11 91.53 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -175.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -57.5 -43.27 84.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.07 0.548 . . . . 0.0 111.678 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.02 -49.5 77.66 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 120.036 1.289 . . . . 0.0 111.614 172.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.42 -2.95 2.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.653 1.181 . . . . 0.0 112.369 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 65.5 t30 51.89 36.22 17.67 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 126.562 1.945 . . . . 0.0 111.372 -174.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -87.65 2.45 50.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.722 1.609 . . . . 0.0 113.524 -170.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-N 119.598 1.09 . . . . 0.0 111.709 171.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 . . . . . 0 CA--C 1.534 0.363 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.965 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -52.22 -49.92 63.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.683 1.193 . . . . 0.0 112.198 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -73.3 -50.17 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.7 tpt -47.68 -52.36 18.53 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 125.789 1.636 . . . . 0.0 112.256 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.31 -55.85 18.74 Favored 'General case' 0 C--O 1.231 0.093 0 C-N-CA 125.635 1.574 . . . . 0.0 109.68 174.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -64.54 -34.72 78.9 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -175.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.59 -58.83 6.84 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.43 16.23 0.11 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.078 1.751 . . . . 0.0 112.816 -178.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 tt -119.54 -55.23 2.13 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 127.445 2.298 . . . . 0.0 107.59 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -53.7 -46.4 70.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 125.547 1.539 . . . . 0.0 110.82 171.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -46.7 -41.75 15.53 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.721 1.208 . . . . 0.0 111.413 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.16 10.4 73.2 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 118.08 -1.4 . . . . 0.0 114.986 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -63.78 1.18 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.265 2.033 . . . . 0.0 111.263 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.49 27.05 0.16 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.968 1.307 . . . . 0.0 112.182 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.486 ' HA ' HD21 ' A' ' 55' ' ' LEU . 19.9 tp -57.46 -56.69 18.61 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 124.65 1.18 . . . . 0.0 109.646 175.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.55 -32.89 74.48 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.634 0.774 . . . . 0.0 111.912 -171.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -59.46 -64.53 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.198 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -53.15 -34.66 57.8 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.474 1.11 . . . . 0.0 112.838 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HB3' ' HE2' ' A' ' 20' ' ' LYS . 28.9 mtpt -56.1 -61.43 2.39 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.824 172.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -34.76 78.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.599 1.09 . . . . 0.0 110.898 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.58 -33.9 70.48 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.3 0.954 . . . . 0.0 112.823 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.0 mtm -118.28 3.26 11.96 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.825 0.85 . . . . 0.0 112.52 -174.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.0 m 49.85 70.04 0.54 Allowed 'General case' 0 C--O 1.24 0.553 0 C-N-CA 125.259 1.424 . . . . 0.0 111.155 -166.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 mt -106.15 164.19 12.19 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 169.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -106.46 177.96 4.7 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.26 -154.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -11.18 45.34 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 121.181 -0.95 . . . . 0.0 112.874 170.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.25 -25.86 67.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.301 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 pt -64.62 -30.2 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 118.504 0.593 . . . . 0.0 111.238 172.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.67 -36.31 82.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -40.99 96.1 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.607 0.763 . . . . 0.0 110.778 173.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -55.62 32.0 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -61.24 -40.19 93.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.849 0.859 . . . . 0.0 111.477 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -62.34 -38.87 91.15 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.18 1.392 . . . . 0.0 112.031 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -98.07 13.45 30.96 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.059 1.344 . . . . 0.0 111.188 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.65 -29.51 70.08 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 119.557 -1.964 . . . . 0.0 111.577 -171.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -102.9 33.88 3.07 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 125.31 1.444 . . . . 0.0 112.58 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -70.23 -171.5 0.46 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.262 1.825 . . . . 0.0 111.66 170.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.77 24.79 10.07 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.575 1.95 . . . . 0.0 114.649 -171.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.77 20.4 0.03 OUTLIER Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.298 1.427 . . . . 0.0 112.78 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -65.53 161.5 20.03 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.431 1.092 . . . . 0.0 109.896 172.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.434 ' OE1' ' HE2' ' A' ' 44' ' ' LYS . 36.8 tt0 -141.02 144.93 35.29 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 126.669 1.988 . . . . 0.0 108.836 170.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.7 mt -113.3 114.02 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 129.355 3.062 . . . . 0.0 105.455 -174.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HE2' ' OE1' ' A' ' 42' ' ' GLU . 51.0 mtmt -138.19 0.05 2.09 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -72.87 122.98 22.5 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 120.871 1.669 . . . . 0.0 109.12 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -54.75 -30.79 57.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.499 -0.751 . . . . 0.0 111.009 168.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.09 -33.73 76.07 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 118.78 -0.628 . . . . 0.0 109.872 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.1 p -71.89 -38.99 69.9 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.088 0.858 . . . . 0.0 109.489 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -54.67 -50.16 58.67 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.21 0.909 . . . . 0.0 112.554 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -32.85 72.73 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 117.305 0.553 . . . . 0.0 111.963 176.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.11 -52.7 64.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 118.958 0.799 . . . . 0.0 109.803 174.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.0 mt -52.53 -49.57 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.836 1.655 . . . . 0.0 109.088 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.6 ttp -62.06 -43.14 99.49 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.891 0.769 . . . . 0.0 112.532 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 23.0 t -65.54 -38.14 88.75 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.64 -0.662 . . . . 0.0 110.632 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 16' ' ' LEU . 92.0 mt -57.49 -53.64 55.85 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 170.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.76 -42.4 35.45 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.38 0.991 . . . . 0.0 112.269 178.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.1 m -56.39 -63.93 1.03 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -63.18 -18.18 63.21 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 126.589 1.956 . . . . 0.0 112.942 -171.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.2 mt -84.95 7.88 19.63 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.609 1.164 . . . . 0.0 111.181 175.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.1 t30 54.55 34.89 22.22 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.092 1.757 . . . . 0.0 110.709 -172.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.8 mtm -95.5 -0.88 51.71 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.632 -0.667 . . . . 0.0 111.729 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -176.811 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -116.01 93.37 4.22 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 126.048 1.739 . . . . 0.0 108.229 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -47.2 -41.13 17.6 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.79 0.836 . . . . 0.0 113.048 -172.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -48.79 -76.34 0.16 Allowed Glycine 0 C--N 1.341 0.808 0 C-N-CA 124.49 1.043 . . . . 0.0 111.794 170.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -57.26 -32.77 66.92 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.008 1.404 . . . . 0.0 113.695 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.85 -55.91 26.94 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.946 1.248 . . . . 0.0 111.044 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.3 ttm -65.65 -39.23 91.18 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.299 1.039 . . . . 0.0 109.645 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.03 -56.93 14.83 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.871 1.668 . . . . 0.0 109.761 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.07 -48.35 44.2 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.114 0.966 . . . . 0.0 109.312 -175.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.77 -68.5 0.18 Allowed 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 123.772 0.829 . . . . 0.0 109.887 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -67.38 -16.75 64.42 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.159 1.383 . . . . 0.0 113.568 -170.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -66.77 -58.34 5.27 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 128.472 2.709 . . . . 0.0 109.804 167.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -73.06 -14.63 61.44 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 117.439 -1.267 . . . . 0.0 113.31 -170.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 134.19 5.51 2.67 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.782 1.182 . . . . 0.0 113.619 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.12 147.96 31.17 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 119.054 1.427 . . . . 0.0 111.27 -167.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.31 165.32 23.96 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 113.956 -1.474 . . . . 0.0 109.858 173.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -51.05 28.2 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.04 0.536 . . . . 0.0 110.85 -177.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.7 m -60.52 -41.75 95.02 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.547 0.612 . . . . 0.0 110.086 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.4 ttt -59.07 -44.96 91.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.699 0.8 . . . . 0.0 109.923 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.35 -37.31 83.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.284 -0.865 . . . . 0.0 111.561 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -55.55 33.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -51.95 -46.41 64.75 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.646 1.578 . . . . 0.0 111.321 175.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.53 -16.81 27.34 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 117.64 -1.171 . . . . 0.0 113.322 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -107.41 -35.99 3.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 117.548 -1.215 . . . . 0.0 111.092 172.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.22 -34.7 78.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 121.174 1.806 . . . . 0.0 111.421 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.79 -48.37 51.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.5 t -62.59 -66.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.932 1.293 . . . . 0.0 110.076 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -57.16 -27.26 61.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.735 1.614 . . . . 0.0 110.693 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.39 -62.61 4.72 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 173.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.8 m -58.9 -31.42 68.6 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.854 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -55.01 -12.25 0.81 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.16 1.345 . . . . 0.0 113.509 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -121.25 -47.35 2.26 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.367 1.867 . . . . 0.0 109.689 173.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 m -60.48 -47.99 83.73 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.006 1.722 . . . . 0.0 113.771 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.1 m -62.37 126.77 88.7 Favored Pre-proline 0 C--O 1.238 0.455 0 C-N-CA 124.197 0.999 . . . . 0.0 110.044 -172.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.9 129.33 14.19 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 122.478 2.119 . . . . 0.0 108.391 167.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.98 -177.24 5.12 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.994 1.718 . . . . 0.0 107.672 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.293 0.7 OUTLIER -109.12 171.7 7.28 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 163.268 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -52.81 -14.16 0.51 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.948 1.699 . . . . 0.0 113.504 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -68.04 94.26 0.48 Allowed 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.558 1.543 . . . . 0.0 110.291 172.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.421 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 5.7 mmpt? -54.66 -23.83 19.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.501 0.72 . . . . 0.0 112.705 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 62.7 m -59.24 -56.64 19.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.738 0.699 . . . . 0.0 110.081 169.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -41.22 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 124.583 1.153 . . . . 0.0 109.744 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.421 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 33.4 t90 -50.47 -62.07 1.81 Allowed 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 124.409 1.083 . . . . 0.0 111.088 172.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.9 m -63.26 -32.14 73.47 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.127 0.421 . . . . 0.0 111.742 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.43 -48.15 72.02 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.05 -1.031 . . . . 0.0 109.959 167.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.47 -46.23 86.43 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.085 -0.842 . . . . 0.0 111.544 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.53 -47.85 90.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.173 0.989 . . . . 0.0 109.73 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.29 -32.81 74.65 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.793 -1.192 . . . . 0.0 111.181 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.7 m -71.8 -45.54 61.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.394 -0.812 . . . . 0.0 112.117 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 21.4 p -62.0 -42.62 99.35 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.117 1.326 . . . . 0.0 109.0 176.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.585 ' CZ ' HD11 ' A' ' 122' ' ' ILE . 24.1 t80 -58.25 -47.9 82.12 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.6 1.16 . . . . 0.0 111.063 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -49.33 -50.79 38.09 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.99 0.916 . . . . 0.0 111.259 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.53 -38.39 59.61 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.22 0.464 . . . . 0.0 112.148 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -62.45 -42.55 99.54 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 118.911 0.778 . . . . 0.0 110.123 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.585 HD11 ' CZ ' ' A' ' 118' ' ' PHE . 7.6 mm -59.11 -37.25 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.476 1.51 . . . . 0.0 109.722 -177.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -62.93 -52.87 61.39 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.163 0.585 . . . . 0.0 110.363 172.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -45.78 88.88 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.044 -1.035 . . . . 0.0 112.208 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.22 -10.36 15.22 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.377 1.871 . . . . 0.0 112.083 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.3 t30 62.2 34.98 15.78 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.386 1.474 . . . . 0.0 111.167 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -89.18 19.19 4.43 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.402 1.881 . . . . 0.0 112.383 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 C-N-CA 124.939 1.295 . . . . 0.0 110.174 171.749 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 . . . . . 0 N--CA 1.471 0.616 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -48.83 -69.8 0.11 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.094 1.358 . . . . 0.0 109.074 172.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.8 p -65.97 -37.16 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 C-N-CA 123.906 0.882 . . . . 0.0 111.967 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -46.32 70.65 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.442 0.297 . . . . 0.0 110.682 -176.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -60.96 -48.92 79.57 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 121.35 -0.844 . . . . 0.0 110.772 173.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -62.66 -34.69 77.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -173.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.23 -56.03 27.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.282 1.433 . . . . 0.0 108.791 170.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 m -58.87 -32.0 69.07 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.0 tp -70.21 -49.92 45.33 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.489 1.516 . . . . 0.0 108.504 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -75.91 -29.56 58.46 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 114.173 -1.376 . . . . 0.0 111.52 -174.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.459 ' O ' HD22 ' A' ' 55' ' ' LEU . 89.6 t80 -56.73 -53.2 60.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 165.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.21 -1.68 7.79 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-O 118.433 -1.204 . . . . 0.0 115.255 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -57.49 -34.49 69.11 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 121.042 2.421 . . . . 0.0 112.642 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.42 10.42 41.42 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -54.55 -55.26 31.12 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 125.368 1.467 . . . . 0.0 108.203 -178.32 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -72.48 -30.24 64.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.051 -167.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.15 -60.52 3.62 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 m -54.28 -40.41 67.81 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.099 0.959 . . . . 0.0 109.409 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.454 ' HD2' HD21 ' A' ' 16' ' ' LEU . 4.2 mtpm? -53.4 -60.26 3.53 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 125.03 1.332 . . . . 0.0 109.206 176.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -69.65 -33.92 73.28 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 118.883 -1.127 . . . . 0.0 110.513 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -59.51 -33.33 71.22 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.638 1.175 . . . . 0.0 113.693 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.0 mtp -113.76 3.17 15.43 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.598 1.159 . . . . 0.0 111.146 -173.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m 42.46 78.92 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.134 1.773 . . . . 0.0 111.168 -161.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mt -117.49 154.42 31.46 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 106.76 -1.571 . . . . 0.0 106.76 168.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.1 p -93.53 161.13 14.49 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 123.372 0.669 . . . . 0.0 110.288 -161.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -67.73 -13.74 62.36 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.368 1.067 . . . . 0.0 111.862 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.8 -34.2 52.52 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 119.222 -0.418 . . . . 0.0 111.899 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 pt -79.82 -14.02 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.086 0.857 . . . . 0.0 112.808 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -62.29 -41.08 98.2 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 173.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -45.86 81.25 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.322 1.449 . . . . 0.0 110.816 170.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -70.15 -14.96 62.88 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.498 1.119 . . . . 0.0 112.402 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -100.47 -36.51 9.18 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.639 1.576 . . . . 0.0 111.844 175.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -68.12 -65.18 0.73 Allowed 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 126.897 2.079 . . . . 0.0 108.894 175.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -77.17 12.59 1.39 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.492 1.117 . . . . 0.0 111.19 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -54.48 -37.49 65.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 120.31 1.414 . . . . 0.0 109.871 173.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -97.03 66.11 2.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.67 1.588 . . . . 0.0 109.48 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.98 173.69 6.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 128.653 2.781 . . . . 0.0 110.532 167.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.23 49.5 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.097 1.359 . . . . 0.0 113.115 -170.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.25 52.56 0.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 107.865 -2.094 . . . . 0.0 107.865 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -88.66 147.39 24.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 162.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.75 134.4 55.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.783 0.801 . . . . 0.0 112.669 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.1 mt -113.7 107.8 23.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 127.671 2.388 . . . . 0.0 106.042 -167.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 -14.78 3.92 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.172 -0.918 . . . . 0.0 113.338 -175.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -64.63 122.52 17.03 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 120.346 1.43 . . . . 0.0 109.38 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -57.94 -25.9 61.54 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.731 -0.605 . . . . 0.0 110.596 175.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.15 -20.29 66.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.344 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 p -71.89 -48.31 46.58 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.911 1.232 . . . . 0.0 108.715 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 112' ' ' LEU . . . -56.47 -45.92 88.62 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 124.544 1.069 . . . . 0.0 111.994 -173.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -40.39 97.59 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.535 -0.333 . . . . 0.0 111.818 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.42 84.86 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.565 -0.709 . . . . 0.0 110.752 174.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.34 -43.91 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.717 0.807 . . . . 0.0 110.054 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -59.87 -49.83 76.15 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 119.347 0.976 . . . . 0.0 111.397 173.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.4 t -56.7 -43.13 80.25 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 117.964 0.347 . . . . 0.0 110.951 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.462 HD21 ' N ' ' A' ' 16' ' ' LEU . 71.8 mt -57.43 -56.36 22.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.097 174.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 m -49.8 -46.31 50.83 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.547 1.067 . . . . 0.0 112.0 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 m -51.76 -56.41 14.01 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.816 1.189 . . . . 0.0 110.186 170.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -61.38 -36.8 81.26 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.555 1.07 . . . . 0.0 112.14 -170.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.27 -21.79 66.77 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.836 0.744 . . . . 0.0 110.8 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.2 t30 63.94 100.14 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 127.09 2.156 . . . . 0.0 107.344 -150.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 26.1 mtm -148.28 4.83 0.72 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.285 1.034 . . . . 0.0 112.839 172.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.6 mt . . . . . 0 CA--C 1.53 0.188 0 CA-C-N 119.746 1.157 . . . . 0.0 108.115 175.657 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 121.987 0.899 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -78.88 90.64 4.72 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.049 0.94 . . . . 0.0 109.638 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -42.24 -42.08 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 126.095 1.758 . . . . 0.0 113.43 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.97 -73.85 0.42 Allowed Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.45 0.548 . . . . 0.0 112.595 173.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -56.62 -37.37 70.61 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.956 1.302 . . . . 0.0 113.088 -176.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.05 -53.42 57.19 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.594 1.557 . . . . 0.0 109.788 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.489 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 8.7 ttm -65.73 -36.43 83.57 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.573 0.749 . . . . 0.0 110.82 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -53.29 59.39 Favored 'General case' 0 N--CA 1.432 -1.373 0 C-N-CA 123.703 0.801 . . . . 0.0 110.227 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -53.67 -39.84 65.44 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.068 0.547 . . . . 0.0 110.192 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.35 -67.77 0.32 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.442 0.697 . . . . 0.0 110.52 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.489 ' HE2' ' SD ' ' A' ' 74' ' ' MET . 0.9 OUTLIER -57.6 -34.24 69.05 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.838 -0.539 . . . . 0.0 111.008 -175.314 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -52.44 -43.09 64.68 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.4 1.88 . . . . 0.0 112.166 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -84.54 2.18 42.41 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.821 0.737 . . . . 0.0 111.636 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.52 23.34 34.11 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-N 119.315 0.961 . . . . 0.0 112.294 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.67 146.42 30.85 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.616 1.708 . . . . 0.0 107.809 169.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.4 162.24 28.55 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 174.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.08 -58.99 4.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.387 1.475 . . . . 0.0 111.446 -173.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.3 m -61.8 -34.55 76.1 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.328 0.651 . . . . 0.0 109.66 175.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.557 ' O ' HD22 ' A' ' 90' ' ' LEU . 8.7 ttt -54.15 -59.41 4.69 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 176.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.75 73.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 117.172 -1.394 . . . . 0.0 112.379 -175.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -58.87 -50.94 72.1 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.011 0.823 . . . . 0.0 110.224 170.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -52.75 -56.2 17.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 124.955 1.302 . . . . 0.0 111.427 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 86' ' ' MET . 1.1 mm? -53.7 -39.12 64.91 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 120.365 1.439 . . . . 0.0 112.842 177.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mt -73.19 -38.28 54.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-N 120.177 1.353 . . . . 0.0 111.468 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.29 -34.84 77.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 120.828 1.649 . . . . 0.0 110.375 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mt -72.69 -57.13 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.279 1.031 . . . . 0.0 109.249 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.9 t -58.39 -56.81 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 124.384 1.074 . . . . 0.0 110.075 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -56.08 -38.38 70.6 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.45 0.7 . . . . 0.0 109.163 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.27 17.6 9.74 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 127.582 2.515 . . . . 0.0 113.057 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 22.2 m -126.59 -34.74 2.41 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 116.555 -1.688 . . . . 0.0 110.2 166.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.63 -24.01 0.48 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 121.903 2.138 . . . . 0.0 115.657 -177.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 -25.28 1.93 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 120.124 -1.61 . . . . 0.0 112.91 176.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.446 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . 59.8 m -60.04 -46.29 90.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.09 1.756 . . . . 0.0 111.781 170.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.9 m -73.81 122.37 87.42 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 125.479 1.512 . . . . 0.0 108.541 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -76.07 145.31 27.79 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.103 2.535 . . . . 0.0 110.858 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.99 -174.82 5.11 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.465 1.506 . . . . 0.0 110.093 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -179.54 3.98 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.25 1.02 . . . . 0.0 110.155 171.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -10.61 11.2 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 125.576 1.55 . . . . 0.0 112.791 171.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.46 92.03 0.8 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 166.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -54.48 -26.94 34.32 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 124.31 1.044 . . . . 0.0 111.53 173.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 63.7 m -54.67 -55.13 32.94 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 171.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.6 mt -63.83 -44.78 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 125.312 1.445 . . . . 0.0 109.534 -175.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -51.5 -60.27 3.33 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.696 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.5 m -69.67 -23.23 63.43 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.402 1.001 . . . . 0.0 112.369 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.44 ' HB2' ' HA3' ' A' ' 49' ' ' GLY . 2.1 tp -58.76 -50.64 73.2 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.663 -1.273 . . . . 0.0 108.622 164.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.83 -51.87 46.4 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.773 1.178 . . . . 0.0 111.298 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.27 -30.38 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 C-N-CA 124.456 1.102 . . . . 0.0 110.822 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.86 -36.25 56.9 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.614 -1.304 . . . . 0.0 112.203 171.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.8 m -71.54 -47.36 55.65 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.414 1.085 . . . . 0.0 110.579 -172.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 26.3 p -57.05 -48.58 78.19 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 175.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.402 ' CZ ' HD11 ' A' ' 122' ' ' ILE . 88.9 t80 -57.81 -50.06 74.56 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.663 1.985 . . . . 0.0 110.329 -178.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.08 -52.02 9.53 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.777 1.631 . . . . 0.0 110.392 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.37 -25.0 68.09 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.22 -34.54 49.25 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.187 0.995 . . . . 0.0 110.507 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.402 HD11 ' CZ ' ' A' ' 118' ' ' PHE . 3.0 mm -64.5 -42.29 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -53.14 -55.81 21.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.655 0.782 . . . . 0.0 111.429 166.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -49.83 -51.63 38.46 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.668 1.576 . . . . 0.0 112.071 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.2 mt -69.33 -6.76 31.72 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.709 1.203 . . . . 0.0 112.393 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 51.3 t30 54.64 26.1 7.08 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.138 2.175 . . . . 0.0 111.847 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -79.81 31.72 0.25 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.057 1.343 . . . . 0.0 112.551 -178.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.832 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 175.915 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.271 2.2 mm-40 . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -49.85 -68.99 0.13 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.061 1.344 . . . . 0.0 111.637 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.07 -33.34 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.977 0.911 . . . . 0.0 111.063 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -50.33 74.38 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.76 0.824 . . . . 0.0 110.71 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -60.1 -45.94 91.26 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.7 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -57.76 -40.99 81.04 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.599 1.16 . . . . 0.0 111.921 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mt -66.67 -47.94 70.88 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.674 1.19 . . . . 0.0 109.877 174.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t -72.81 19.83 0.08 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.943 1.697 . . . . 0.0 111.764 173.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -129.07 -51.6 1.21 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 126.04 1.736 . . . . 0.0 108.599 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -60.93 -27.09 67.95 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.796 1.238 . . . . 0.0 112.344 174.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -53.8 -65.57 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.274 1.829 . . . . 0.0 108.334 170.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.45 36.2 2.43 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 120.987 -1.071 . . . . 0.0 113.28 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -66.35 -62.66 1.35 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.618 1.709 . . . . 0.0 109.428 169.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.79 22.36 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.638 1.575 . . . . 0.0 113.355 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.05 -50.26 72.68 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 120.871 -1.143 . . . . 0.0 110.448 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.45 -35.89 72.83 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.232 0.924 . . . . 0.0 112.535 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.66 -67.02 0.4 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 173.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 70.3 m -48.59 -43.04 35.67 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.457 0.703 . . . . 0.0 111.986 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HG2' HD11 ' A' ' 29' ' ' ILE . 21.3 mtpp -51.57 -54.73 24.47 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.626 1.57 . . . . 0.0 111.105 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -82.24 -19.84 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.064 0.393 . . . . 0.0 110.993 -175.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.43 -27.75 63.5 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.182 0.993 . . . . 0.0 112.971 173.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.5 mtp -118.24 -14.71 9.83 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.263 1.025 . . . . 0.0 112.218 -171.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.0 m 57.36 87.92 0.06 Allowed 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.574 1.55 . . . . 0.0 109.779 -156.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.7 mt -119.53 139.63 51.8 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 167.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.8 p -67.35 164.12 19.24 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 125.044 1.337 . . . . 0.0 111.422 -170.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -22.41 65.75 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.176 -0.952 . . . . 0.0 111.059 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.65 -22.74 64.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -176.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.475 HD11 ' HG2' ' A' ' 20' ' ' LYS . 2.3 pt -72.58 -26.16 23.67 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 CA-C-O 117.663 -1.16 . . . . 0.0 111.941 174.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -60.28 -47.55 85.51 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 120.261 1.391 . . . . 0.0 107.325 173.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.427 ' HG3' HD22 ' A' ' 35' ' ' ASN . 2.8 tt0 -59.04 -44.05 91.72 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.543 1.137 . . . . 0.0 110.386 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.0 -57.78 11.19 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.699 0.399 . . . . 0.0 110.028 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.6 -45.19 81.55 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.399 1.48 . . . . 0.0 111.809 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -62.0 -48.84 78.51 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.887 1.275 . . . . 0.0 110.281 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.427 HD22 ' HG3' ' A' ' 31' ' ' GLU . 73.9 m-80 -91.54 2.19 56.61 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 117.542 -1.218 . . . . 0.0 112.36 -173.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -50.27 -38.28 40.29 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 120.649 1.568 . . . . 0.0 112.683 -168.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.464 ' CH2' HG21 ' A' ' 122' ' ' ILE . 39.8 m95 -82.81 26.44 0.59 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.579 1.552 . . . . 0.0 114.477 176.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -72.18 168.17 18.78 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 126.13 1.772 . . . . 0.0 109.558 167.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -96.72 24.67 5.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -167.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.91 30.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.673 0 C-N-CA 124.795 1.188 . . . . 0.0 111.765 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -72.35 131.18 42.31 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.956 0.878 . . . . 0.0 108.921 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -101.28 138.06 38.81 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.773 0.829 . . . . 0.0 112.557 169.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -115.08 103.48 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 -164.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -137.27 4.48 2.68 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -63.84 93.46 0.08 Allowed 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 158.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.425 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 51.8 ttt-85 -46.23 -30.82 2.15 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.176 1.391 . . . . 0.0 113.355 174.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.7 -24.29 65.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.858 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.6 p -69.04 -41.92 77.03 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 119.765 1.166 . . . . 0.0 108.455 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.08 -47.07 75.56 Favored Glycine 0 C--N 1.335 0.522 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -30.64 63.83 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.894 -1.05 . . . . 0.0 113.449 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.52 -55.39 35.49 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 121.26 1.845 . . . . 0.0 108.799 167.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.2 mt -49.74 -42.21 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 125.466 1.507 . . . . 0.0 109.332 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 39.0 ttp -61.65 -55.99 24.63 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.216 1.006 . . . . 0.0 112.75 172.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.24 -58.18 7.95 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.126 0.971 . . . . 0.0 111.311 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -48.4 -49.15 36.01 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 125.847 1.659 . . . . 0.0 111.364 172.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.2 m -51.24 -50.42 59.21 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.081 1.31 . . . . 0.0 112.535 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -53.22 -50.15 65.3 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.774 1.17 . . . . 0.0 110.444 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -63.19 -18.22 63.25 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -173.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.08 2.24 55.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.388 1.904 . . . . 0.0 111.974 171.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.2 t30 66.08 36.25 5.82 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 128.171 2.589 . . . . 0.0 113.162 -168.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 47.9 mtm -95.65 8.89 42.12 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.981 -1.074 . . . . 0.0 112.281 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--O 1.238 0.468 0 CA-C-N 120.365 1.439 . . . . 0.0 108.702 176.199 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 tt . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.13 85.99 2.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.696 1.198 . . . . 0.0 108.868 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -50.75 -36.61 37.45 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 125.615 1.566 . . . . 0.0 111.975 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.1 -68.53 1.37 Allowed Glycine 0 CA--C 1.523 0.558 0 C-N-CA 124.401 1.0 . . . . 0.0 112.02 170.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -29.12 70.4 Favored 'General case' 0 CA--C 1.53 0.205 0 O-C-N 122.217 -0.578 . . . . 0.0 111.589 -176.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.13 97.61 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.537 1.135 . . . . 0.0 111.209 173.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.3 ttm -69.57 -38.53 77.43 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.441 -0.787 . . . . 0.0 111.389 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.92 -47.6 84.43 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -52.14 -45.52 65.03 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.982 1.313 . . . . 0.0 110.121 174.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.85 -58.52 7.63 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 124.233 1.013 . . . . 0.0 110.712 -177.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.9 mppp? -59.55 -43.91 93.41 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.332 0.653 . . . . 0.0 109.425 -177.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -46.1 -55.75 6.56 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.458 1.503 . . . . 0.0 111.105 173.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -75.62 -7.78 55.13 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 117.772 -1.108 . . . . 0.0 113.577 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.35 8.02 33.9 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 120.279 1.4 . . . . 0.0 114.691 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.42 159.36 21.49 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.369 1.585 . . . . 0.0 109.05 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.68 171.48 14.97 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.958 0.409 . . . . 0.0 110.624 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -53.18 59.15 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.469 1.107 . . . . 0.0 108.594 172.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.3 m -58.04 -50.68 72.59 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.86 1.264 . . . . 0.0 108.866 -175.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.6 ttp -59.89 -49.36 77.99 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.316 1.046 . . . . 0.0 110.626 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.8 -29.7 69.71 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 120.015 1.279 . . . . 0.0 112.833 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -60.63 -50.87 71.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.25 169.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -56.98 -44.35 82.61 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.752 1.221 . . . . 0.0 111.776 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.9 mt -63.62 -16.45 60.94 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.233 1.013 . . . . 0.0 112.684 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mp -99.6 -41.23 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.053 167.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.35 -44.47 80.13 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 120.87 1.668 . . . . 0.0 111.184 -176.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 55.4 mt -70.04 -53.66 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.43 1.092 . . . . 0.0 108.889 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.23 -56.97 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 124.258 1.023 . . . . 0.0 110.151 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -51.81 -42.21 62.33 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.451 1.5 . . . . 0.0 108.321 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.79 -52.75 40.36 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 125.423 1.487 . . . . 0.0 112.406 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 11.6 m -68.86 -30.86 69.47 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 116.061 -1.924 . . . . 0.0 112.903 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -15.09 0.66 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 122.26 2.3 . . . . 0.0 115.883 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.43 -29.44 2.44 Favored 'General case' 0 N--CA 1.461 0.083 0 C-N-CA 125.675 1.59 . . . . 0.0 113.131 175.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.19 -53.11 49.65 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.704 0.802 . . . . 0.0 112.2 172.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.8 m -55.51 116.85 12.89 Favored Pre-proline 0 N--CA 1.451 -0.41 0 C-N-CA 125.248 1.419 . . . . 0.0 109.744 -171.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.39 129.1 11.7 Favored 'Trans proline' 0 N--CA 1.444 -1.402 0 C-N-CA 122.154 1.903 . . . . 0.0 108.477 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -139.32 170.22 16.33 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.718 1.207 . . . . 0.0 109.317 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -80.59 -175.0 4.99 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 163.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -5.53 6.24 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.573 -0.704 . . . . 0.0 112.225 166.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -70.05 95.32 0.95 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.358 1.063 . . . . 0.0 109.31 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.6 ' HE3' ' CE3' ' A' ' 110' ' ' TRP . 2.3 mmmt -53.01 -27.77 20.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.54 -1.219 . . . . 0.0 112.992 178.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 34.1 m -61.42 -50.47 72.68 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.783 1.174 . . . . 0.0 108.598 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.0 mm -60.42 -47.83 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 126.059 1.744 . . . . 0.0 109.164 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.6 ' CE3' ' HE3' ' A' ' 107' ' ' LYS . 27.0 t90 -50.7 -63.66 1.06 Allowed 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 124.493 1.117 . . . . 0.0 110.696 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.8 m -60.14 -31.33 69.98 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.03 0.932 . . . . 0.0 110.784 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -60.76 -53.83 52.57 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 125.092 1.357 . . . . 0.0 111.142 172.472 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.36 -44.02 95.39 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 40.4 t -57.38 -42.61 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 117.441 0.62 . . . . 0.0 110.767 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.3 71.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.878 -1.139 . . . . 0.0 111.989 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.3 m -73.1 -41.92 63.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.618 0.767 . . . . 0.0 110.904 -172.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.7 p -65.15 -45.77 83.63 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.243 0.929 . . . . 0.0 109.288 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -56.64 -52.36 65.17 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.999 1.719 . . . . 0.0 110.675 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -47.65 -54.42 12.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.44 1.018 . . . . 0.0 110.067 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.96 -35.11 72.62 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.91 -42.08 99.66 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 121.301 -0.874 . . . . 0.0 110.435 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.464 HG21 ' CH2' ' A' ' 37' ' ' TRP . 15.7 mm -56.6 -47.16 82.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 119.541 1.064 . . . . 0.0 109.824 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -56.81 -43.94 81.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.046 0.538 . . . . 0.0 110.888 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -40.34 94.9 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.075 1.35 . . . . 0.0 108.556 -178.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 38.3 mt -71.74 -3.57 22.74 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.875 -176.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 36.6 t30 54.95 22.97 4.67 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 128.516 2.726 . . . . 0.0 111.605 -167.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -73.24 9.89 1.14 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.625 1.57 . . . . 0.0 112.298 175.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 1 C-N-CA 133.822 4.849 . . . . 0.0 110.861 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -43.77 -64.85 0.58 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 129.704 3.201 . . . . 0.0 112.352 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.614 HG12 ' CD1' ' A' ' 8' ' ' LEU . 6.8 t -56.72 -45.71 82.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 C-N-CA 123.976 0.911 . . . . 0.0 108.566 175.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -39.57 74.65 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.02 -1.05 . . . . 0.0 110.191 -175.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -56.03 -55.06 37.37 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 118.893 0.77 . . . . 0.0 109.763 171.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -48.11 -49.07 33.31 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.292 1.837 . . . . 0.0 110.129 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.614 ' CD1' HG12 ' A' ' 4' ' ' VAL . 7.1 mp -54.01 -57.41 11.14 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.413 1.085 . . . . 0.0 109.518 177.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 p -64.41 -22.73 67.05 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.18 -62.82 1.22 Allowed 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.441 ' HA ' ' HG2' ' A' ' 14' ' ' LYS . 9.6 m-80 -77.24 -20.44 55.22 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 114.295 -1.321 . . . . 0.0 111.02 -169.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -57.26 -62.25 1.9 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.358 1.063 . . . . 0.0 109.175 164.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.47 12.32 3.54 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 118.597 -1.113 . . . . 0.0 114.206 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' A' ' 11' ' ' ASN . 21.1 mmtp -56.77 -52.13 66.22 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.503 2.151 . . . . 0.0 110.678 174.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.32 17.78 0.61 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.709 1.204 . . . . 0.0 112.417 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tp -56.7 -53.51 56.9 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 120.151 1.341 . . . . 0.0 109.996 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.56 -31.54 69.78 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 118.289 0.495 . . . . 0.0 111.804 -173.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -54.22 -60.83 2.81 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 168.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.2 m -59.38 -31.25 69.05 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.778 1.231 . . . . 0.0 113.12 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.15 -56.69 16.21 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 172.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -76.42 -26.39 55.47 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 118.965 0.802 . . . . 0.0 111.526 -171.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.26 -35.29 67.27 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 125.99 1.716 . . . . 0.0 112.506 175.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mtm -130.99 1.88 4.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.277 0.631 . . . . 0.0 111.89 -169.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.3 m 44.72 84.2 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.288 1.435 . . . . 0.0 110.75 -158.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 mt -108.18 136.44 47.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 164.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.3 p -60.93 161.47 8.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.051 0.844 . . . . 0.0 112.587 -171.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -23.43 67.22 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 122.929 0.492 . . . . 0.0 111.69 164.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.68 -16.26 60.56 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -173.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pt -72.26 -21.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.97 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -57.22 -43.37 82.78 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -59.96 -51.18 70.78 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.89 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -65.28 -16.61 63.75 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.752 1.16 . . . . 0.0 112.263 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -92.68 -48.59 6.51 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 125.912 1.685 . . . . 0.0 110.812 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.61 -50.48 71.87 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.37 2.268 . . . . 0.0 110.089 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -93.36 6.13 49.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.452 2.301 . . . . 0.0 111.884 -176.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -50.08 -34.14 20.78 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.621 1.1 . . . . 0.0 110.509 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -94.98 17.88 13.07 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.521 1.928 . . . . 0.0 114.822 -174.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.95 165.56 8.67 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.975 -1.078 . . . . 0.0 109.865 168.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -89.09 24.5 2.1 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 125.086 1.354 . . . . 0.0 114.344 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.99 17.39 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 C-N-CA 123.806 0.717 . . . . 0.0 112.614 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.46 129.78 38.71 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 118.33 1.065 . . . . 0.0 109.766 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -97.1 134.99 39.72 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.755 174.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.5 mt -113.87 110.19 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.01 4.24 4.11 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.661 0.784 . . . . 0.0 112.011 175.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.531 ' HB3' HG23 ' A' ' 48' ' ' THR . 32.0 t-20 -62.2 110.28 1.57 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.822 1.649 . . . . 0.0 109.197 173.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.411 ' HE ' HD11 ' A' ' 109' ' ' ILE . 32.0 ttm105 -61.08 -26.68 67.81 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 121.146 -0.971 . . . . 0.0 111.08 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.62 -31.39 70.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.714 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.531 HG23 ' HB3' ' A' ' 45' ' ' ASN . 40.2 p -71.13 -40.73 71.24 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 119.454 1.024 . . . . 0.0 108.54 -176.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA3' ' HB2' ' A' ' 112' ' ' LEU . . . -57.75 -45.7 93.11 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 177.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.77 -28.65 61.77 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 176.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.5 -49.97 71.46 Favored 'General case' 0 C--O 1.227 -0.097 0 CA-C-N 119.412 1.005 . . . . 0.0 109.816 171.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.31 -41.68 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 124.61 1.164 . . . . 0.0 109.358 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -61.99 -52.14 65.2 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.959 0.799 . . . . 0.0 110.727 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.0 t -56.4 -45.31 80.7 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.606 -1.309 . . . . 0.0 111.046 178.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.4 -45.34 93.55 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.298 -0.877 . . . . 0.0 111.088 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.7 m -49.95 -55.95 12.5 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.051 1.34 . . . . 0.0 110.584 172.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 m -50.23 -56.61 10.41 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.006 0.922 . . . . 0.0 110.355 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -62.23 -13.45 28.15 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.25 1.42 . . . . 0.0 112.177 -173.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.6 mt -102.8 9.08 39.21 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.057 1.343 . . . . 0.0 110.864 176.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 44.05 49.42 7.43 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 129.34 3.056 . . . . 0.0 112.32 -163.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -93.87 29.54 2.06 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 121.753 -0.592 . . . . 0.0 111.185 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 62' ' ' LEU . 15.4 mt . . . . . 0 CA--C 1.513 -0.459 0 O-C-N 121.518 -0.739 . . . . 0.0 109.138 173.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -79.57 84.31 5.45 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.459 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -53.65 -33.43 55.18 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.574 1.55 . . . . 0.0 112.565 175.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.13 -58.33 15.13 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 123.261 0.458 . . . . 0.0 112.064 170.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -23.26 62.66 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.385 -1.068 . . . . 0.0 111.467 -176.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.92 -54.5 15.13 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.464 1.505 . . . . 0.0 110.529 173.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.8 ttm -59.68 -35.52 74.63 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.681 0.673 . . . . 0.0 110.997 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -58.99 -43.58 91.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.14 174.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -54.6 -47.95 72.74 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.86 10.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.4 0.68 . . . . 0.0 111.325 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -22.35 64.93 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.139 0.881 . . . . 0.0 111.517 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -66.29 -50.22 64.43 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 125.215 1.406 . . . . 0.0 110.186 167.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -76.4 -9.05 58.35 Favored 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -164.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.03 7.05 27.51 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 119.625 1.102 . . . . 0.0 112.888 -173.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.97 166.09 17.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 119.329 1.564 . . . . 0.0 110.892 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -96.41 167.47 11.15 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.174 1.789 . . . . 0.0 108.808 -170.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -50.9 66.98 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.298 1.039 . . . . 0.0 111.383 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -62.68 -48.02 81.11 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 123.557 0.743 . . . . 0.0 109.369 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 ttp -55.79 -46.24 78.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.578 0.751 . . . . 0.0 109.824 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.64 84.64 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.451 -0.785 . . . . 0.0 112.029 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -69.02 -38.38 79.17 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.522 -1.228 . . . . 0.0 110.727 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -56.79 -49.11 76.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 120.469 1.486 . . . . 0.0 111.343 174.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.05 -17.47 57.49 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.667 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.1 mt -96.73 -40.57 10.57 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 119.98 1.264 . . . . 0.0 111.511 170.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.6 -43.56 84.78 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 119.607 1.094 . . . . 0.0 110.21 -174.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.2 mt -76.1 -40.87 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.149 0.98 . . . . 0.0 109.426 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.19 -55.7 15.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 124.218 1.007 . . . . 0.0 110.406 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -55.44 -40.69 71.84 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.128 1.371 . . . . 0.0 108.428 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.72 15.05 2.34 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 127.366 2.412 . . . . 0.0 114.639 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.8 m -127.78 -29.02 2.64 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 125.739 1.616 . . . . 0.0 110.335 169.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -50.71 -26.03 5.03 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 122.226 2.285 . . . . 0.0 115.567 -175.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -33.46 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.743 1.217 . . . . 0.0 110.7 177.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.7 m -56.86 -46.96 81.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 127.331 2.252 . . . . 0.0 112.848 173.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.2 m -65.78 118.86 55.77 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 174.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.95 135.04 22.57 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.667 2.245 . . . . 0.0 107.8 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.35 -174.89 4.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.777 0.799 . . . . 0.0 111.18 -175.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -128.1 -179.17 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 127.118 2.167 . . . . 0.0 107.65 167.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.61 -10.37 26.0 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.526 1.13 . . . . 0.0 112.923 -174.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.499 ' HB3' ' H ' ' A' ' 109' ' ' ILE . 3.0 m-20 -65.82 96.01 0.27 Allowed 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 165.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.5 mmpp? -51.75 -26.96 10.58 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.066 163.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 17.1 m -59.92 -57.42 12.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.144 0.884 . . . . 0.0 108.966 170.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.499 ' H ' ' HB3' ' A' ' 106' ' ' ASP . 7.2 mm -62.65 -46.06 97.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 125.602 1.561 . . . . 0.0 109.512 -172.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -49.32 -64.13 0.9 Allowed 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 125.217 1.407 . . . . 0.0 109.514 173.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.3 m -60.59 -39.33 87.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.53 0.732 . . . . 0.0 110.795 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.451 ' HB2' ' HA3' ' A' ' 49' ' ' GLY . 6.1 tp -55.97 -46.91 78.48 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 124.343 1.057 . . . . 0.0 109.236 173.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.55 93.33 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.865 0.745 . . . . 0.0 111.362 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.06 -19.84 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 124.512 1.125 . . . . 0.0 110.871 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.64 -37.75 14.4 Favored 'General case' 0 C--O 1.225 -0.22 0 O-C-N 120.763 -1.21 . . . . 0.0 111.831 169.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 34.6 m -73.22 -35.08 66.23 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.915 1.234 . . . . 0.0 111.272 -173.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 22.7 p -58.23 -56.24 24.64 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.544 1.066 . . . . 0.0 108.27 170.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -61.08 -46.97 88.45 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 128.855 2.862 . . . . 0.0 111.893 -171.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -41.68 -57.63 2.24 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 125.716 1.606 . . . . 0.0 108.654 172.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.12 -11.0 60.58 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.463 -170.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -85.23 -33.03 22.31 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 120.48 1.491 . . . . 0.0 112.377 168.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.409 HG23 ' HB2' ' A' ' 127' ' ' TRP . 11.8 mm -55.12 -43.33 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 167.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -59.0 -45.41 90.72 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.129 0.972 . . . . 0.0 112.915 175.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -48.32 77.63 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 121.997 2.181 . . . . 0.0 111.483 173.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.26 -22.57 63.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.431 1.092 . . . . 0.0 110.599 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 52.5 t30 66.85 49.72 1.17 Allowed 'General case' 0 C--O 1.237 0.414 0 C-N-CA 129.086 2.955 . . . . 0.0 110.485 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.409 ' HB2' HG23 ' A' ' 122' ' ' ILE . 52.3 m0 -105.11 18.31 22.56 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.217 1.407 . . . . 0.0 114.235 -173.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 CA-C-N 121.082 1.765 . . . . 0.0 111.523 176.198 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 . . . . . 0 C--O 1.225 -0.23 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -47.55 -64.17 0.86 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.278 1.031 . . . . 0.0 109.904 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.1 p -84.02 -35.68 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 123.391 0.676 . . . . 0.0 112.396 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -41.63 76.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.956 -0.465 . . . . 0.0 111.024 -176.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -40.07 86.77 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 120.555 -1.341 . . . . 0.0 109.897 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -56.3 -49.55 73.97 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 127.016 2.126 . . . . 0.0 111.186 169.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.9 mt -59.71 -54.02 51.2 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.098 -1.001 . . . . 0.0 108.644 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.2 m -59.31 -14.45 11.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.904 1.282 . . . . 0.0 113.428 174.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.3 -66.55 0.9 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.43 -4.27 47.49 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -169.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -43.26 -54.6 4.47 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.146 0.978 . . . . 0.0 109.815 153.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.1 43.28 2.94 Favored Glycine 0 C--N 1.336 0.534 0 O-C-N 121.066 -1.021 . . . . 0.0 113.524 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -53.91 18.06 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.965 1.882 . . . . 0.0 109.295 171.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.12 25.69 0.16 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.87 1.268 . . . . 0.0 113.396 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 tp -62.95 -56.09 20.2 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.577 1.151 . . . . 0.0 111.58 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -29.55 70.23 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.56 -52.07 35.85 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.4 m -55.43 -38.61 69.22 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.087 0.955 . . . . 0.0 111.454 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -58.79 -63.27 1.35 Allowed 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.85 1.26 . . . . 0.0 109.019 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.49 -28.13 69.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 119.483 1.038 . . . . 0.0 112.581 -177.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -60.32 -58.43 8.55 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.484 1.114 . . . . 0.0 111.618 175.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.0 mtm -101.82 -0.3 34.44 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.003 0.521 . . . . 0.0 112.224 -169.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.7 m 58.97 81.8 0.16 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.411 2.285 . . . . 0.0 110.592 -171.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -115.39 129.19 56.5 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.8 p -69.42 166.53 18.51 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.221 1.008 . . . . 0.0 110.929 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -11.11 60.44 Favored 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 121.193 -0.942 . . . . 0.0 112.63 174.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.3 -28.74 68.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.199 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.486 HG22 HG22 ' A' ' 48' ' ' THR . 1.4 pt -68.67 -29.8 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 124.631 1.172 . . . . 0.0 110.345 176.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.39 -17.77 64.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.19 -0.944 . . . . 0.0 110.295 173.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.5 -55.1 8.51 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 120.39 1.45 . . . . 0.0 107.325 166.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.481 ' CG ' HG21 ' A' ' 48' ' ' THR . 2.4 p30 -75.29 -27.95 59.55 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 119.241 0.928 . . . . 0.0 112.126 -164.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -65.99 -45.98 79.68 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.233 0.924 . . . . 0.0 111.066 165.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -60.79 -49.33 77.92 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 119.697 1.135 . . . . 0.0 109.411 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.99 -4.74 48.54 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 126.251 1.821 . . . . 0.0 111.576 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -52.07 -44.69 64.46 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 121.501 1.955 . . . . 0.0 112.091 -165.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.3 m95 -82.86 38.51 0.58 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.363 1.065 . . . . 0.0 112.622 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 170.49 10.16 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.976 1.71 . . . . 0.0 111.633 175.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.35 61.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.696 1.998 . . . . 0.0 112.382 -167.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.84 58.43 1.04 Allowed Glycine 0 N--CA 1.454 -0.116 0 N-CA-C 108.197 -1.961 . . . . 0.0 108.197 -174.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -90.09 166.97 13.1 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.233 1.413 . . . . 0.0 108.807 162.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -133.84 148.78 51.34 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.317 1.447 . . . . 0.0 112.603 168.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.7 mt -123.5 121.68 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 127.982 2.513 . . . . 0.0 105.84 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -136.83 -17.76 1.41 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -56.02 110.71 0.79 Allowed 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -22.33 38.21 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 119.624 1.102 . . . . 0.0 110.591 171.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -52.22 -37.29 54.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.24 2.216 . . . . 0.0 111.478 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.486 HG22 HG22 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -81.05 -36.27 30.72 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -178.839 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.41 -56.19 16.28 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 126.985 2.231 . . . . 0.0 109.248 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.62 -31.49 72.73 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.508 -0.995 . . . . 0.0 113.329 174.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.5 76.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.941 1.246 . . . . 0.0 110.323 172.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.9 mt -60.85 -41.34 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 125.275 1.43 . . . . 0.0 109.087 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 34.5 ttp -59.56 -46.44 88.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.101 0.56 . . . . 0.0 110.761 172.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.82 -48.08 83.13 Favored 'General case' 0 C--N 1.342 0.246 0 O-C-N 121.546 -0.721 . . . . 0.0 111.645 177.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.86 -39.81 95.55 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.406 -0.809 . . . . 0.0 110.022 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 m -56.51 -53.61 55.47 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.804 172.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -48.13 -49.18 33.13 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.38 0.991 . . . . 0.0 111.668 170.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -67.7 -20.1 65.24 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 121.283 -0.886 . . . . 0.0 112.283 -172.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.7 mt -98.77 14.45 28.73 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.181 1.392 . . . . 0.0 110.02 176.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 50.78 36.89 15.49 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 128.672 2.789 . . . . 0.0 111.526 -174.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.9 mtt -85.92 9.7 16.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 117.877 -1.059 . . . . 0.0 111.837 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.3 mt . . . . . 0 C--O 1.234 0.286 0 CA-C-N 120.322 1.419 . . . . 0.0 108.39 175.03 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.536 0.404 0 CA-C-O 120.694 0.283 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -74.42 87.3 2.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.395 1.478 . . . . 0.0 107.842 173.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -51.58 -36.87 47.26 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.381 1.073 . . . . 0.0 111.779 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.49 -75.4 0.23 Allowed Glycine 0 CA--C 1.527 0.807 0 C-N-CA 125.641 1.591 . . . . 0.0 113.477 170.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -66.69 -25.75 66.7 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.314 1.557 . . . . 0.0 112.459 -171.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.57 87.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.557 0.743 . . . . 0.0 111.192 168.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.7 ttm -77.77 -29.82 51.14 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.888 -1.133 . . . . 0.0 112.013 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -55.57 -55.38 32.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.491 1.116 . . . . 0.0 108.477 168.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -50.39 -51.72 43.64 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 124.289 0.993 . . . . 0.0 108.963 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.41 -62.08 1.91 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.004 0.82 . . . . 0.0 113.086 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -39.86 85.14 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.216 -0.928 . . . . 0.0 112.085 -173.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -50.61 -33.64 22.94 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 126.66 1.984 . . . . 0.0 112.902 177.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -90.45 -9.72 46.42 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.836 0.854 . . . . 0.0 112.322 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.84 16.15 12.03 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.496 1.046 . . . . 0.0 113.604 -175.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.97 147.74 52.85 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 119.576 1.688 . . . . 0.0 110.796 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -67.52 159.68 29.21 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.306 167.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -45.04 94.08 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 172.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -31.4 70.33 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.972 0.909 . . . . 0.0 110.941 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.3 ttp -74.33 -51.53 14.9 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 120.737 -1.227 . . . . 0.0 108.347 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -36.92 76.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 122.914 0.485 . . . . 0.0 111.428 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -65.6 -44.66 85.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 117.292 -1.337 . . . . 0.0 109.654 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -57.56 -48.14 80.13 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 120.543 1.519 . . . . 0.0 111.357 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.37 -34.38 72.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 124.372 1.069 . . . . 0.0 111.097 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -39.82 16.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-O 117.299 -1.334 . . . . 0.0 111.567 172.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.92 -37.31 81.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 120.922 1.692 . . . . 0.0 110.971 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 67.9 mt -78.31 -45.36 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 124.189 0.996 . . . . 0.0 109.448 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.04 -46.84 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.97 0.805 . . . . 0.0 110.616 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.55 ' CD2' ' HE2' ' A' ' 99' ' ' LYS . 17.9 t-160 -58.07 -50.09 74.67 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 178.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.12 15.95 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 C-N-CA 128.148 2.785 . . . . 0.0 115.009 174.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 10.3 m -133.0 -29.4 1.45 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 116.192 -1.861 . . . . 0.0 111.599 165.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -54.98 -22.07 13.97 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 123.435 2.834 . . . . 0.0 112.867 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.55 ' HE2' ' CD2' ' A' ' 95' ' ' HIS . 0.4 OUTLIER -121.89 -25.54 4.98 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 119.807 -1.808 . . . . 0.0 113.417 177.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 m -80.54 -33.11 36.52 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.45 1.5 . . . . 0.0 112.943 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.7 m -75.91 114.4 36.67 Favored Pre-proline 0 N--CA 1.45 -0.465 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 170.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -71.33 147.72 53.59 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.533 2.155 . . . . 0.0 109.449 171.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -155.97 174.1 15.83 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.937 -0.477 . . . . 0.0 110.269 168.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.55 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -65.28 177.42 1.09 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.946 0.898 . . . . 0.0 109.374 162.786 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -0.57 1.49 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.152 0.981 . . . . 0.0 112.182 162.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.55 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 6.8 t70 -74.97 94.42 2.84 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 120.376 -1.453 . . . . 0.0 109.572 175.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.601 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 13.5 mmmm -67.21 -24.49 65.85 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.21 -0.932 . . . . 0.0 111.673 -171.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 65.0 m -58.89 -54.34 48.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 169.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.4 mm -59.26 -44.13 91.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 123.893 0.877 . . . . 0.0 110.308 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.601 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 30.1 t90 -57.07 -63.52 1.18 Allowed 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 125.623 1.569 . . . . 0.0 111.556 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -60.5 -33.95 73.35 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 118.648 0.658 . . . . 0.0 110.434 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.22 -55.17 9.08 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.41 1.084 . . . . 0.0 108.988 168.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.53 -38.23 94.58 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.671 1.129 . . . . 0.0 113.158 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.37 -34.94 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 118.349 1.075 . . . . 0.0 110.38 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.17 67.55 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 120.891 -1.13 . . . . 0.0 110.981 170.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 m -60.82 -40.54 93.12 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 120.143 1.338 . . . . 0.0 112.126 -171.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.0 p -66.53 -59.8 3.3 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.399 0.679 . . . . 0.0 109.956 171.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.48 ' CE1' HD11 ' A' ' 122' ' ' ILE . 63.1 t80 -49.23 -50.3 39.17 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 124.941 1.296 . . . . 0.0 111.063 -174.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.04 -55.9 3.02 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 126.073 1.749 . . . . 0.0 110.703 172.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.02 -32.97 72.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 122.203 0.201 . . . . 0.0 111.115 -172.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -70.78 -38.55 73.39 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.245 1.418 . . . . 0.0 109.503 177.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' A' ' 118' ' ' PHE . 7.0 mm -62.91 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 CA-C-N 119.489 1.04 . . . . 0.0 109.678 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -57.66 -45.52 85.44 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 119.205 -0.426 . . . . 0.0 110.22 176.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -59.2 -44.22 92.25 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.777 0.717 . . . . 0.0 111.576 175.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.0 mt -65.18 -8.03 15.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.767 1.227 . . . . 0.0 112.874 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 56.27 22.51 6.28 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.403 1.881 . . . . 0.0 112.025 -170.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 46.8 m0 -82.65 46.35 1.06 Allowed 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.682 -1.261 . . . . 0.0 109.301 177.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 116.9 -1.524 . . . . 0.0 107.815 177.025 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.351 1.1 tt0 . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -52.72 -47.21 67.5 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.774 2.03 . . . . 0.0 110.387 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.6 t -69.45 -34.23 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.562 1.145 . . . . 0.0 110.584 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -48.48 81.56 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.877 1.217 . . . . 0.0 109.065 176.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -58.08 -51.27 70.38 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 123.688 0.795 . . . . 0.0 109.598 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.71 -40.84 84.87 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.37 -50.78 72.23 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.207 -0.933 . . . . 0.0 109.23 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -58.37 -28.24 64.97 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.665 1.186 . . . . 0.0 111.295 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -80.57 -47.0 14.82 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.668 1.987 . . . . 0.0 109.759 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -82.55 -27.02 31.88 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.506 0.722 . . . . 0.0 111.937 -177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -54.7 -54.87 36.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 157.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.22 47.27 3.79 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.3 -0.722 . . . . 0.0 113.961 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -100.97 -41.4 6.82 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 117.11 -1.424 . . . . 0.0 113.247 174.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.574 ' HB1' ' CE ' ' A' ' 58' ' ' LYS . . . -76.97 27.48 0.14 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 121.025 1.738 . . . . 0.0 113.111 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.72 -56.39 22.45 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.856 -1.152 . . . . 0.0 111.108 -172.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -62.89 -36.33 82.99 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.238 1.015 . . . . 0.0 110.157 -173.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -56.42 -58.77 6.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 170.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.1 m -59.83 -29.42 68.25 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -66.11 -56.81 9.62 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 124.312 1.045 . . . . 0.0 109.374 173.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -66.14 -33.3 75.47 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.617 0.644 . . . . 0.0 110.847 -176.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -57.11 -31.85 65.73 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.879 1.272 . . . . 0.0 113.56 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mtm -127.2 -0.09 6.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -168.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 m 49.99 81.63 0.06 Allowed 'General case' 0 C--O 1.236 0.393 0 C-N-CA 124.501 1.12 . . . . 0.0 109.666 -159.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -112.44 136.65 51.68 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 170.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.7 p -66.82 154.65 40.35 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.584 0.553 . . . . 0.0 111.012 -174.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.3 -20.61 63.01 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 123.226 0.61 . . . . 0.0 110.627 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.04 -10.89 6.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.175 1.79 . . . . 0.0 114.255 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.3 pt -74.45 -16.91 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 119.203 0.911 . . . . 0.0 111.831 169.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -59.09 -51.94 67.89 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -52.8 -41.71 64.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.699 0.681 . . . . 0.0 111.298 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -68.16 -49.01 63.77 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.319 0.508 . . . . 0.0 110.795 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.45 -40.23 95.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 118.819 0.736 . . . . 0.0 111.713 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -60.58 -52.08 66.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 126.026 1.73 . . . . 0.0 109.058 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -89.56 8.24 32.24 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.288 0.635 . . . . 0.0 112.214 -174.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -50.76 -42.19 57.47 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.778 1.631 . . . . 0.0 110.929 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -85.22 17.69 2.93 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -65.47 166.97 9.43 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 120.504 1.502 . . . . 0.0 111.238 174.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -94.35 24.41 4.49 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 126.15 1.78 . . . . 0.0 113.731 -167.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 164.77 31.06 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 C-N-CA 124.519 1.057 . . . . 0.0 111.695 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -82.61 146.66 29.01 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.334 0.654 . . . . 0.0 109.41 -176.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -122.08 133.92 54.77 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 122.419 1.104 . . . . 0.0 110.321 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.7 mt -101.35 122.89 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 104.145 -2.539 . . . . 0.0 104.145 -175.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -142.02 -20.52 0.72 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.403 -173.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 110.53 2.4 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 174.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -53.26 -29.12 31.21 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.806 0.73 . . . . 0.0 110.239 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.15 -29.05 63.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.121 1.368 . . . . 0.0 112.621 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.6 p -69.78 -47.25 63.58 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 119.558 1.072 . . . . 0.0 108.708 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.76 -43.29 86.82 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 124.674 1.13 . . . . 0.0 112.095 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -32.35 61.34 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 118.333 -0.842 . . . . 0.0 112.584 177.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.79 80.31 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.966 1.257 . . . . 0.0 109.643 170.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.9 mt -51.96 -56.19 7.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 C-N-CA 124.604 1.162 . . . . 0.0 108.067 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -55.76 -45.79 78.0 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.31 0.959 . . . . 0.0 111.96 -177.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.67 -47.4 82.41 Favored 'General case' 0 C--O 1.225 -0.201 0 O-C-N 122.026 -0.421 . . . . 0.0 110.618 174.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.68 -44.81 95.3 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.12 -0.987 . . . . 0.0 109.857 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 m -53.22 -49.17 67.34 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.662 1.119 . . . . 0.0 110.262 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -52.3 -55.74 19.41 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.902 -1.124 . . . . 0.0 110.723 171.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.574 ' CE ' ' HB1' ' A' ' 15' ' ' ALA . 3.9 mmmt -62.21 -27.38 68.94 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.312 -0.867 . . . . 0.0 111.189 -172.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.6 mt -84.73 10.83 10.33 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.082 1.353 . . . . 0.0 110.963 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 t30 41.78 46.78 3.42 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 128.454 2.702 . . . . 0.0 110.372 -171.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.97 -1.64 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.778 -169.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 N--CA 1.445 -0.705 0 C-N-CA 123.549 0.74 . . . . 0.0 109.757 -172.594 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.8 HD13 ' H ' ' A' ' 70' ' ' HIS . 2.1 tm? . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 118.796 -0.621 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -73.34 -14.92 61.38 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -176.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.8 ' H ' HD13 ' A' ' 68' ' ' LEU . 26.9 m80 67.28 -55.88 0.45 Allowed 'General case' 0 C--O 1.232 0.153 0 C-N-CA 128.984 2.913 . . . . 0.0 112.219 -166.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.4 -72.45 0.57 Allowed Glycine 0 CA--C 1.526 0.778 0 C-N-CA 125.056 1.313 . . . . 0.0 113.057 -174.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -57.86 -40.14 79.43 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.623 -174.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.9 -59.93 2.05 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.916 1.286 . . . . 0.0 110.134 169.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.1 ttm -65.12 -43.98 90.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -60.13 -47.04 87.56 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -58.15 -44.22 87.77 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 124.351 1.061 . . . . 0.0 110.797 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.34 -61.89 2.24 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 123.173 0.589 . . . . 0.0 109.607 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -57.55 -34.46 69.19 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.583 -0.698 . . . . 0.0 111.896 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -54.78 -38.55 67.39 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.805 1.242 . . . . 0.0 112.527 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -78.63 6.86 7.84 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.138 0.575 . . . . 0.0 112.015 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.37 5.33 85.2 Favored Glycine 0 CA--C 1.526 0.741 0 CA-C-O 119.023 -0.876 . . . . 0.0 112.229 -174.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.54 148.49 48.63 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 118.456 1.128 . . . . 0.0 110.256 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.61 153.13 36.88 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.276 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -53.2 57.03 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.39 2.276 . . . . 0.0 109.197 175.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 83.8 m -65.06 -47.55 76.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.664 1.586 . . . . 0.0 110.875 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.5 ttm -52.43 -51.91 56.74 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.46 -38.53 87.56 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.559 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -58.19 -53.4 58.72 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.97 0.804 . . . . 0.0 109.262 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -59.25 -41.0 87.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.57 1.148 . . . . 0.0 111.922 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.8 mt -64.62 -14.62 58.81 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 117.959 -1.02 . . . . 0.0 111.586 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.25 -51.25 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-O 116.629 -1.653 . . . . 0.0 110.698 163.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.1 -28.91 69.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 121.114 1.779 . . . . 0.0 112.149 -165.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 53.5 mt -70.61 -48.81 56.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.55 -58.28 8.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 125.183 1.393 . . . . 0.0 110.413 -173.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -56.62 -38.34 71.96 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 123.866 0.867 . . . . 0.0 109.052 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.23 7.6 2.46 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.893 2.187 . . . . 0.0 114.429 174.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 59.7 m -124.12 -35.57 2.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 126.601 1.961 . . . . 0.0 110.498 169.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.67 -25.59 0.5 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 122.062 2.21 . . . . 0.0 115.136 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.24 -36.75 3.31 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 125.383 1.473 . . . . 0.0 112.023 172.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -40.31 95.47 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.636 0.774 . . . . 0.0 112.043 -175.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.8 m -63.34 120.05 58.63 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 124.718 1.207 . . . . 0.0 109.572 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.18 129.3 11.2 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.013 2.475 . . . . 0.0 109.395 175.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -136.26 174.14 10.94 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.288 0.635 . . . . 0.0 111.0 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.11 176.96 8.44 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 156.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.74 -6.0 4.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.962 0.905 . . . . 0.0 112.5 169.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -67.15 96.04 0.44 Allowed 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 120.707 -1.245 . . . . 0.0 108.504 176.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.653 ' HE3' ' CE3' ' A' ' 110' ' ' TRP . 8.2 mmmt -57.86 -24.46 57.61 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.087 -1.008 . . . . 0.0 113.092 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.2 m -61.75 -52.96 62.1 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 170.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.4 -42.88 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.137 1.775 . . . . 0.0 109.109 -173.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.653 ' CE3' ' HE3' ' A' ' 107' ' ' LYS . 29.3 t90 -47.61 -63.63 1.0 Allowed 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 125.309 1.444 . . . . 0.0 109.527 171.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.7 m -60.58 -38.52 84.88 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.088 0.555 . . . . 0.0 111.382 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.84 -49.87 57.97 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.664 1.586 . . . . 0.0 110.145 172.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.59 -42.72 87.71 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 124.76 1.171 . . . . 0.0 112.085 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.32 -24.53 33.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 117.721 0.761 . . . . 0.0 110.753 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -83.04 -41.72 18.33 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 120.898 -1.126 . . . . 0.0 111.907 168.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.0 m -61.02 -43.57 98.69 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.122 1.328 . . . . 0.0 110.719 -172.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 17.8 p -61.66 -51.71 67.33 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.486 0.66 . . . . 0.0 109.931 178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.76 -48.14 83.15 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.309 2.244 . . . . 0.0 110.057 -175.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -47.53 -54.18 12.37 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.166 0.986 . . . . 0.0 109.74 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.67 73.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.525 ' HA ' ' HE3' ' A' ' 124' ' ' LYS . 8.9 mm-40 -63.8 -43.11 97.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.211 0.914 . . . . 0.0 111.075 171.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.2 mm -57.66 -47.16 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.19 0.905 . . . . 0.0 108.853 175.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -56.02 -50.05 71.97 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.056 0.543 . . . . 0.0 111.412 173.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.525 ' HE3' ' HA ' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -59.71 -41.26 90.39 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 119.957 -1.714 . . . . 0.0 112.555 178.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.79 -7.52 16.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.901 1.681 . . . . 0.0 112.337 172.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 51.9 t30 59.58 26.23 15.23 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.549 1.94 . . . . 0.0 112.041 -173.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -91.01 -8.04 50.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.561 1.945 . . . . 0.0 112.907 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-N 119.593 1.088 . . . . 0.0 108.279 179.351 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 119.128 -0.463 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.422 ' HG3' ' HA ' ' A' ' 127' ' ' TRP . 3.8 mt-30 -88.45 -33.81 17.71 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.637 1.175 . . . . 0.0 112.367 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -50.95 -59.58 4.0 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 126.543 1.937 . . . . 0.0 111.138 -173.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.51 HG22 ' CD1' ' A' ' 8' ' ' LEU . 1.2 p -62.04 -45.05 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 124.381 1.072 . . . . 0.0 110.731 176.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -36.89 46.66 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -61.89 -50.2 73.17 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -54.8 -39.66 68.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 124.351 1.06 . . . . 0.0 112.497 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.51 ' CD1' HG22 ' A' ' 4' ' ' VAL . 4.8 mp -60.49 -55.49 32.83 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -60.78 -32.54 71.87 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.612 0.765 . . . . 0.0 110.98 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.56 -54.93 15.76 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.919 1.688 . . . . 0.0 108.139 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -77.51 -23.92 50.15 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.592 -172.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.405 ' HA ' HD11 ' A' ' 59' ' ' LEU . 54.1 t80 -57.79 -56.89 16.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.118 1.367 . . . . 0.0 108.831 165.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.29 36.93 1.54 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.897 0.76 . . . . 0.0 114.013 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -80.07 -65.75 0.97 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.217 1.508 . . . . 0.0 109.422 170.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.77 14.54 0.1 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -172.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.3 tp -61.07 -46.11 91.98 Favored 'General case' 0 C--O 1.224 -0.258 0 O-C-N 120.768 -1.207 . . . . 0.0 110.605 -174.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 20' ' ' LYS . 4.2 t70 -69.12 -30.0 68.18 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.27 -59.11 5.92 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 168.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.5 m -52.43 -38.22 58.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.974 0.91 . . . . 0.0 112.42 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 10.2 mtpm? -57.71 -56.02 27.36 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.531 1.133 . . . . 0.0 110.432 176.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.256 0.1 OUTLIER -63.09 -40.53 97.92 Favored 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 125.67 1.588 . . . . 0.0 109.058 -178.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -59.58 -51.51 69.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.016 1.326 . . . . 0.0 110.734 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.3 mtp -108.1 2.3 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.26 0.624 . . . . 0.0 111.512 -161.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.6 m 51.71 77.17 0.15 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 126.681 1.992 . . . . 0.0 109.355 -167.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.5 mt -112.47 136.39 52.03 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -73.69 169.54 17.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 122.666 1.222 . . . . 0.0 109.853 -173.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.77 -17.21 64.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.545 174.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -10.47 45.49 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.467 HG22 HG22 ' A' ' 48' ' ' THR . 2.3 pt -80.59 -24.39 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 117.753 -1.118 . . . . 0.0 110.139 175.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -56.44 -40.81 75.39 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 119.486 1.039 . . . . 0.0 108.677 170.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.76 -56.63 19.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 115.916 -1.992 . . . . 0.0 109.287 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.451 ' CB ' HG21 ' A' ' 48' ' ' THR . 1.0 OUTLIER -48.99 -56.52 8.67 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.655 1.116 . . . . 0.0 107.991 178.306 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -60.95 -26.55 67.59 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -81.23 -43.73 18.81 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.697 1.599 . . . . 0.0 111.491 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -95.53 2.88 54.51 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.211 1.405 . . . . 0.0 112.941 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -48.16 -41.58 27.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.749 2.019 . . . . 0.0 110.503 -176.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -89.99 47.17 1.42 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.116 1.766 . . . . 0.0 112.569 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.64 166.78 11.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.63 1.172 . . . . 0.0 110.567 168.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -94.92 23.74 5.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.718 1.207 . . . . 0.0 113.98 -171.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.39 40.48 0.02 OUTLIER Glycine 0 CA--C 1.509 -0.293 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -91.31 141.79 28.4 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 167.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -126.48 137.45 53.39 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.402 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 79.3 mt -100.86 104.23 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 C-N-CA 129.98 3.312 . . . . 0.0 105.406 -161.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 9.9 mmpt? -124.35 -6.14 7.67 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.758 -173.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.515 ' HB3' HG23 ' A' ' 48' ' ' THR . 52.8 t-20 -74.85 108.08 7.36 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 120.453 1.479 . . . . 0.0 107.967 170.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -52.76 -27.87 19.73 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.936 1.244 . . . . 0.0 111.036 175.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -65.96 -26.1 67.42 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 117.726 -1.13 . . . . 0.0 111.22 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.515 HG23 ' HB3' ' A' ' 45' ' ' ASN 0.259 11.2 p -69.76 -41.15 75.57 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.253 1.388 . . . . 0.0 108.617 177.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.51 -56.44 7.25 Favored Glycine 0 C--N 1.341 0.856 0 C-N-CA 126.83 2.157 . . . . 0.0 112.226 169.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -34.98 75.48 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.419 -0.8 . . . . 0.0 113.07 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.02 79.43 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 119.705 1.139 . . . . 0.0 109.88 175.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.5 mt -52.56 -53.36 20.52 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.946 1.298 . . . . 0.0 108.336 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.7 ttp -58.54 -40.71 83.72 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.106 0.866 . . . . 0.0 112.304 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.4 t -63.16 -46.19 88.33 Favored 'General case' 0 C--N 1.338 0.097 0 O-C-N 121.606 -0.684 . . . . 0.0 110.609 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.5 mt -58.25 -50.17 74.54 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-O 118.65 -0.69 . . . . 0.0 109.15 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.6 m -50.35 -49.69 53.34 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.684 1.193 . . . . 0.0 112.043 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 m -52.94 -53.03 55.51 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.032 0.833 . . . . 0.0 111.028 169.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -65.2 -29.66 70.5 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.414 -0.803 . . . . 0.0 111.253 -171.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 12' ' ' PHE . 11.2 mt -88.66 5.46 43.03 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.843 1.657 . . . . 0.0 110.824 175.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.85 38.01 1.7 Allowed 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.907 2.483 . . . . 0.0 112.815 168.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.7 mtt -93.01 17.81 10.17 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.094 -1.004 . . . . 0.0 112.053 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.2 mt -119.66 120.06 35.53 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 120.624 1.556 . . . . 0.0 109.704 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.495 ' HB2' ' HD2' ' A' ' 64' ' ' PRO . 55.6 p-10 -67.26 174.22 2.21 Favored Pre-proline 0 C--O 1.241 0.653 0 C-N-CA 126.072 1.749 . . . . 0.0 108.523 173.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 63' ' ' ASP . 20.0 Cg_endo -64.04 -10.35 22.78 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 121.513 1.475 . . . . 0.0 112.64 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -96.16 -25.68 15.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.454 1.102 . . . . 0.0 109.516 -168.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.89 28.32 54.76 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 125.954 1.74 . . . . 0.0 111.757 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -117.84 31.23 6.82 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.887 2.075 . . . . 0.0 109.447 -177.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.409 HD22 ' CD2' ' A' ' 70' ' ' HIS . 0.6 OUTLIER 63.75 123.34 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 129.098 2.959 . . . . 0.0 113.25 -178.55 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.56 76.99 1.47 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 170.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.409 ' CD2' HD22 ' A' ' 68' ' ' LEU . 51.8 m80 -55.88 -33.65 64.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.091 0.956 . . . . 0.0 110.651 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -47.76 -61.36 4.81 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.133 1.349 . . . . 0.0 112.555 166.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -74.84 -31.26 61.61 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.658 -0.907 . . . . 0.0 112.491 -175.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.25 -41.3 65.31 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.022 1.329 . . . . 0.0 111.05 168.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.6 ttm -69.27 -39.94 78.08 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 118.824 0.738 . . . . 0.0 111.558 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -56.18 -46.28 79.44 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 118.951 0.796 . . . . 0.0 109.001 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.34 -42.91 74.46 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.621 0.646 . . . . 0.0 110.179 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 -60.88 2.9 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 123.282 0.633 . . . . 0.0 110.007 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 mppp? -61.15 -34.79 75.58 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.472 0.578 . . . . 0.0 111.057 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -56.77 -36.27 69.64 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.246 1.819 . . . . 0.0 111.861 174.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -90.0 -5.27 56.83 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 117.761 -1.114 . . . . 0.0 113.295 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.19 1.98 20.23 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 119.593 1.088 . . . . 0.0 114.944 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.71 150.06 49.11 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 119.131 1.465 . . . . 0.0 112.249 -167.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.0 167.89 14.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 114.433 -1.258 . . . . 0.0 108.8 170.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -61.24 1.85 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.286 1.435 . . . . 0.0 111.612 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.2 m -62.12 -30.01 70.73 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 118.592 0.633 . . . . 0.0 109.501 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.66 ' O ' HD22 ' A' ' 90' ' ' LEU . 1.9 ttp -60.1 -66.23 0.55 Allowed 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 171.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.84 -34.83 55.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 119.613 1.097 . . . . 0.0 112.804 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -48.89 72.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 117.767 -1.111 . . . . 0.0 110.873 172.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -50.29 -54.12 23.66 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 125.804 1.641 . . . . 0.0 110.559 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 86' ' ' MET . 2.5 mm? -56.97 -40.16 75.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 117.03 -1.462 . . . . 0.0 111.809 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.94 -47.2 77.08 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 CA-C-O 117.27 -1.347 . . . . 0.0 109.938 175.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.41 -36.18 77.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 120.907 1.685 . . . . 0.0 110.647 -172.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 58.4 mt -72.79 -47.68 48.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.144 0.977 . . . . 0.0 109.495 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.402 ' CG1' HD13 ' A' ' 68' ' ' LEU . 28.6 t -64.56 -56.57 15.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 124.332 1.053 . . . . 0.0 110.044 -177.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -51.12 -40.67 59.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.958 1.703 . . . . 0.0 108.417 173.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.4 -1.38 64.79 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 127.802 2.62 . . . . 0.0 115.153 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.9 m -122.32 -26.28 4.67 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.198 1.999 . . . . 0.0 111.729 170.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -21.49 3.14 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.94 2.155 . . . . 0.0 113.556 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.03 -46.31 2.09 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 120.456 -1.402 . . . . 0.0 110.081 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -46.09 68.51 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 124.546 1.138 . . . . 0.0 112.044 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.2 m -68.59 115.07 26.52 Favored Pre-proline 0 N--CA 1.447 -0.58 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -73.25 154.91 51.79 Favored 'Trans proline' 0 N--CA 1.445 -1.382 0 C-N-CA 121.815 1.677 . . . . 0.0 108.854 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -160.19 170.95 20.09 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 124.919 1.288 . . . . 0.0 108.226 166.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -171.9 0.57 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 168.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.48 -15.85 1.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.131 0.972 . . . . 0.0 112.787 163.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -74.19 92.23 2.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -171.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -54.23 -27.92 37.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.533 1.133 . . . . 0.0 113.943 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 50.3 m -61.58 -52.07 65.95 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 119.256 0.935 . . . . 0.0 109.146 171.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.499 ' HA ' HD23 ' A' ' 112' ' ' LEU . 15.7 mm -56.25 -52.24 53.84 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 125.496 1.518 . . . . 0.0 109.173 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -46.71 -66.95 0.33 Allowed 'General case' 0 N--CA 1.437 -1.125 0 C-N-CA 125.719 1.608 . . . . 0.0 111.692 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.8 m -58.86 -35.16 72.51 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 124.057 0.848 . . . . 0.0 111.939 -176.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 109' ' ' ILE . 0.1 OUTLIER -53.25 -47.47 69.04 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.208 1.003 . . . . 0.0 110.392 172.198 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.97 -39.83 84.74 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 118.715 -1.047 . . . . 0.0 112.137 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.02 -43.21 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 118.674 1.237 . . . . 0.0 108.548 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.79 90.8 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.064 -1.022 . . . . 0.0 111.934 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 94.3 m -70.14 -39.03 75.62 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 118.21 -0.9 . . . . 0.0 112.517 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 16.1 p -65.76 -49.99 66.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.771 1.169 . . . . 0.0 108.904 173.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -54.32 -45.94 72.74 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.782 1.633 . . . . 0.0 111.014 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -47.9 -53.11 16.82 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.289 1.035 . . . . 0.0 110.128 175.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.01 -40.88 77.49 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.281 0.491 . . . . 0.0 110.563 -176.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -58.59 -42.66 88.57 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.98 0.809 . . . . 0.0 111.075 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.36 -41.68 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.219 0.607 . . . . 0.0 110.016 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -59.74 -52.6 64.81 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.564 173.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -53.77 -42.84 68.68 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.676 1.126 . . . . 0.0 111.89 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.99 -5.06 28.21 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.511 1.124 . . . . 0.0 112.632 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 36.3 t30 45.59 50.61 10.45 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 126.547 1.939 . . . . 0.0 110.846 -168.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.422 ' HA ' ' HG3' ' A' ' 2' ' ' GLN . 36.7 m0 -95.28 1.5 54.51 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.712 174.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 C-N-CA 125.809 1.643 . . . . 0.0 108.731 167.139 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 119.782 -0.152 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.79 -50.82 13.65 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 127.354 2.262 . . . . 0.0 111.844 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.57 -42.05 67.15 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.748 1.219 . . . . 0.0 111.907 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.1 t -70.73 -34.77 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 123.706 0.802 . . . . 0.0 109.55 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -49.82 72.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.648 1.113 . . . . 0.0 108.631 172.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -57.69 -51.57 68.97 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 125.003 1.321 . . . . 0.0 110.275 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.48 -43.68 93.42 Favored 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 125.328 1.451 . . . . 0.0 112.232 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.29 -53.05 60.99 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 174.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -59.02 -35.96 74.16 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.18 0.592 . . . . 0.0 111.976 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.1 tp -65.75 -50.45 64.73 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 124.233 1.013 . . . . 0.0 108.728 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -77.45 -34.34 54.47 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.885 -172.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.45 ' HA ' HD11 ' A' ' 59' ' ' LEU . 62.8 t80 -53.79 -51.72 62.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.18 1.392 . . . . 0.0 109.45 167.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.41 1.88 18.01 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 117.654 -1.637 . . . . 0.0 115.588 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -58.51 -60.55 3.62 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.526 2.163 . . . . 0.0 110.616 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.29 8.56 0.43 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.308 1.043 . . . . 0.0 113.805 -175.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.83 -47.04 87.34 Favored 'General case' 0 C--O 1.221 -0.409 0 O-C-N 120.775 -1.203 . . . . 0.0 110.766 -173.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.19 -34.23 76.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.594 1.558 . . . . 0.0 111.05 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.49 -52.89 41.27 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 173.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.2 m -56.41 -37.74 70.58 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.34 1.056 . . . . 0.0 111.819 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.465 ' HE2' ' OD1' ' A' ' 27' ' ' ASP . 17.0 mttp -58.79 -39.18 80.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.145 1.378 . . . . 0.0 111.673 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -90.73 -31.0 16.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.795 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.01 -46.59 71.84 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.901 1.228 . . . . 0.0 110.269 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mtp -117.32 3.72 12.57 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.772 0.829 . . . . 0.0 111.544 -162.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m 50.38 73.85 0.25 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.614 1.565 . . . . 0.0 110.769 -171.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 mt -112.84 129.88 56.29 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.1 p -68.62 167.23 15.55 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 125.211 1.404 . . . . 0.0 110.742 -167.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.465 ' OD1' ' HE2' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -79.44 -10.75 59.87 Favored 'General case' 0 C--N 1.333 -0.115 0 O-C-N 121.006 -1.059 . . . . 0.0 111.476 178.024 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.03 -30.93 60.59 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.888 1.275 . . . . 0.0 111.498 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.42 HG22 HG22 ' A' ' 48' ' ' THR . 2.8 pt -65.31 -23.56 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 O-C-N 121.756 -0.59 . . . . 0.0 112.047 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -62.88 -31.7 72.8 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.874 172.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.67 -11.96 59.92 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.013 -0.994 . . . . 0.0 112.359 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -74.65 -70.51 0.4 Allowed 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 158.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -52.63 -25.65 11.34 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -173.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -72.72 -58.23 3.51 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.706 1.602 . . . . 0.0 109.766 172.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -88.45 11.14 17.8 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.539 1.536 . . . . 0.0 112.028 -173.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -53.58 -35.82 61.24 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.843 -1.161 . . . . 0.0 109.268 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -100.04 31.14 3.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.354 1.462 . . . . 0.0 113.665 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -71.5 169.03 16.28 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 119.422 -2.048 . . . . 0.0 109.269 165.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -77.19 91.16 3.72 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 126.247 1.819 . . . . 0.0 106.796 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.41 12.92 77.57 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-O 118.443 -1.199 . . . . 0.0 114.28 169.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -60.09 139.69 57.33 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.735 1.767 . . . . 0.0 109.072 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -113.06 155.78 24.28 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-O 122.842 1.306 . . . . 0.0 110.647 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt -132.0 117.13 32.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 127.7 2.4 . . . . 0.0 105.469 -160.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.89 -17.09 1.09 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -53.2 110.39 0.54 Allowed 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 125.269 1.427 . . . . 0.0 108.684 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 32.9 ttp85 -57.13 -26.12 59.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.377 0.989 . . . . 0.0 109.637 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -58.08 -37.33 74.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.548 1.139 . . . . 0.0 111.812 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.42 HG22 HG22 ' A' ' 29' ' ' ILE . 8.1 p -72.94 -41.66 64.24 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -175.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.68 -42.51 96.3 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -37.3 74.18 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.511 0.656 . . . . 0.0 111.725 175.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.01 -48.06 79.38 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.187 0.903 . . . . 0.0 110.338 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.0 mt -55.0 -51.68 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 124.999 1.32 . . . . 0.0 109.165 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -59.44 -38.34 80.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.419 0.687 . . . . 0.0 112.063 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.2 t -64.99 -46.16 82.6 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.119 0.568 . . . . 0.0 110.789 173.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.447 HD22 ' O ' ' A' ' 12' ' ' PHE . 89.6 mt -60.14 -49.64 76.83 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.175 0.898 . . . . 0.0 109.597 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.0 m -53.94 -47.56 71.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.969 0.804 . . . . 0.0 111.418 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.8 m -52.77 -55.64 21.39 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.681 0.673 . . . . 0.0 110.913 173.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -64.83 -17.94 64.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.584 -0.698 . . . . 0.0 111.678 -171.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.45 HD11 ' HA ' ' A' ' 12' ' ' PHE . 23.2 mt -97.0 12.21 33.31 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.302 1.441 . . . . 0.0 110.83 176.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 53.03 34.42 17.04 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 129.132 2.973 . . . . 0.0 112.344 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.403 ' SD ' ' HA ' ' A' ' 73' ' ' ALA . 67.0 mtm -83.74 -1.61 54.53 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.187 -0.946 . . . . 0.0 112.351 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.3 mt -104.73 130.24 52.82 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 120.047 1.294 . . . . 0.0 108.374 171.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.531 ' HB2' ' HD2' ' A' ' 64' ' ' PRO . 49.8 p30 -73.66 171.73 10.09 Favored Pre-proline 0 C--O 1.242 0.681 0 C-N-CA 126.02 1.728 . . . . 0.0 108.225 175.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.531 ' HD2' ' HB2' ' A' ' 63' ' ' ASP . 69.6 Cg_endo -67.68 4.33 1.44 Allowed 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 123.213 2.608 . . . . 0.0 112.718 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -104.73 -35.97 7.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.966 1.306 . . . . 0.0 107.805 -174.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.2 23.76 6.54 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 127.336 2.398 . . . . 0.0 112.755 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -134.6 29.0 3.59 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.106 1.762 . . . . 0.0 111.857 -147.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.5 tp 63.07 107.38 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.765 2.426 . . . . 0.0 112.121 -173.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -66.53 93.09 0.22 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.075 1.35 . . . . 0.0 109.138 172.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -42.35 -50.02 5.09 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.533 1.133 . . . . 0.0 110.55 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.16 -71.04 0.71 Allowed Glycine 0 C--N 1.338 0.657 0 C-N-CA 125.374 1.464 . . . . 0.0 112.539 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -74.75 -25.86 59.38 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.391 -169.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.403 ' HA ' ' SD ' ' A' ' 61' ' ' MET . . . -56.76 -46.6 81.34 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.156 0.982 . . . . 0.0 110.413 168.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.4 ttm -69.86 -42.25 73.78 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.124 0.97 . . . . 0.0 110.929 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.65 -53.24 58.94 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 124.059 0.944 . . . . 0.0 109.275 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.15 -44.23 67.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.8 0.84 . . . . 0.0 110.314 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.74 -63.61 1.18 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.543 0.61 . . . . 0.0 111.267 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -27.66 68.04 Favored 'General case' 0 N--CA 1.461 0.088 0 O-C-N 120.96 -1.087 . . . . 0.0 113.067 -172.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -52.01 -44.06 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 126.852 2.061 . . . . 0.0 109.792 170.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -82.05 3.66 25.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.932 0.893 . . . . 0.0 112.154 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.04 25.44 44.79 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 120.726 -1.234 . . . . 0.0 112.508 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.08 151.99 46.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.26 -1.141 . . . . 0.0 110.734 175.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.39 159.16 34.46 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -49.22 74.27 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.606 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 87.6 m -55.98 -49.83 72.51 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 118.758 0.708 . . . . 0.0 109.852 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.1 ttt -56.23 -47.39 78.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.256 1.022 . . . . 0.0 111.015 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.85 85.67 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.832 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -49.96 75.34 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 172.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -63.27 -35.86 81.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.622 1.169 . . . . 0.0 113.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.4 mt -69.4 -4.42 18.36 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.603 1.161 . . . . 0.0 111.906 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.97 -50.46 8.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 117.468 -1.253 . . . . 0.0 109.525 159.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.06 -42.11 79.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 120.916 1.689 . . . . 0.0 111.445 -169.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 53.7 mt -70.7 -38.28 72.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.949 0.9 . . . . 0.0 109.749 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.5 t -73.5 -65.98 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.109 0 C-N-CA 125.101 1.36 . . . . 0.0 108.594 -175.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -47.69 -38.15 14.5 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.126 2.57 . . . . 0.0 109.59 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.82 -67.17 2.32 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 125.013 1.292 . . . . 0.0 110.413 173.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.439 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 1.6 m -54.97 -26.42 36.43 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 117.102 -1.427 . . . . 0.0 112.749 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -49.98 -28.7 7.27 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 122.368 2.349 . . . . 0.0 113.5 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.06 -29.49 2.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 124.682 1.193 . . . . 0.0 112.339 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.439 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . 27.0 m -64.25 -13.97 52.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.885 0.874 . . . . 0.0 112.956 169.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.0 m -111.78 114.73 51.79 Favored Pre-proline 0 C--O 1.238 0.494 0 C-N-CA 124.231 1.012 . . . . 0.0 108.49 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.01 140.57 31.62 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.595 2.197 . . . . 0.0 108.16 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -157.99 164.7 36.52 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 170.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.467 HD21 HG21 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -59.78 165.27 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.533 0.682 . . . . 0.0 109.896 160.043 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -0.76 0.67 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.351 1.86 . . . . 0.0 113.252 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -72.29 91.53 1.33 Allowed 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.543 1.137 . . . . 0.0 108.027 176.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.528 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -49.54 -30.22 8.15 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 126.614 1.966 . . . . 0.0 113.111 178.76 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 19.1 m -60.8 -57.15 13.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 173.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.467 HG21 HD21 ' A' ' 104' ' ' ASN . 1.1 mt -64.43 -43.76 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.925 0.89 . . . . 0.0 110.668 -175.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.528 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 32.1 t90 -53.36 -58.72 6.1 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 124.471 1.109 . . . . 0.0 110.831 174.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.2 m -62.58 -33.03 74.14 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.471 0.578 . . . . 0.0 111.071 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.484 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -50.86 -53.76 29.63 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 124.41 1.084 . . . . 0.0 109.846 167.11 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.19 -48.96 83.4 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-O 118.526 -1.152 . . . . 0.0 111.257 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.49 -49.82 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.935 1.294 . . . . 0.0 109.122 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.69 95.82 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.26 -0.9 . . . . 0.0 111.364 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.9 m -65.94 -47.4 74.79 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.482 0.713 . . . . 0.0 111.135 -176.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.0 p -63.12 -49.1 75.73 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 119.102 0.865 . . . . 0.0 110.017 176.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -52.62 -44.94 66.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.291 1.036 . . . . 0.0 111.028 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -49.78 -53.07 27.35 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.943 1.297 . . . . 0.0 110.393 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.45 -30.43 66.93 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.394 0.543 . . . . 0.0 112.296 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -72.28 -35.78 68.8 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.093 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 13.8 mm -58.65 -42.26 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 120.301 1.409 . . . . 0.0 109.832 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -59.33 -50.22 74.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.683 0.793 . . . . 0.0 109.919 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -63.93 -36.55 84.3 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.96 -1.087 . . . . 0.0 112.08 -178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.479 HD13 ' CZ3' ' A' ' 127' ' ' TRP . 34.0 mt -74.18 -2.89 26.67 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.09 0.956 . . . . 0.0 111.841 176.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 59.9 t30 58.61 31.97 21.65 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.411 1.484 . . . . 0.0 111.385 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.479 ' CZ3' HD13 ' A' ' 125' ' ' LEU . 33.1 m0 -94.03 12.0 27.82 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.09 1.356 . . . . 0.0 110.521 170.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 127.1 2.16 . . . . 0.0 108.378 176.518 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -55.64 -44.37 77.1 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 128.025 2.53 . . . . 0.0 112.239 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -52.53 -53.62 43.74 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 126.716 2.006 . . . . 0.0 110.268 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 8' ' ' LEU . 68.4 t -59.63 -49.02 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.7 tpt -53.45 -41.79 66.47 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 119.268 0.94 . . . . 0.0 110.17 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -59.45 -48.15 82.76 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 119.257 0.935 . . . . 0.0 109.872 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -55.5 -37.66 68.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.997 1.319 . . . . 0.0 111.294 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.542 ' CD1' HG12 ' A' ' 4' ' ' VAL . 3.8 mp -67.03 -48.3 68.79 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.116 0.967 . . . . 0.0 110.227 176.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 t -56.48 -42.39 78.2 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.389 1.076 . . . . 0.0 109.94 176.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.47 -49.82 72.14 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 126.921 2.088 . . . . 0.0 107.216 -176.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.18 -41.45 66.99 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.702 -1.135 . . . . 0.0 112.661 -173.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.08 -43.74 82.41 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.36 14.34 8.98 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-O 117.193 -1.893 . . . . 0.0 115.623 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -54.25 -63.92 1.0 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 120.984 2.392 . . . . 0.0 109.419 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.73 25.99 0.33 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.687 1.195 . . . . 0.0 113.231 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.62 -51.15 69.66 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 120.622 -1.298 . . . . 0.0 110.743 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.61 -35.61 80.09 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.85 0.86 . . . . 0.0 111.626 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.62 -59.43 5.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 171.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.7 m -56.41 -31.87 64.31 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -63.56 -57.03 11.44 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.015 0.926 . . . . 0.0 110.087 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.78 -38.97 92.74 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 118.575 0.625 . . . . 0.0 111.18 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.81 -33.0 66.28 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.86 1.264 . . . . 0.0 112.576 -177.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.4 mtm -125.42 -2.38 7.46 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -170.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.1 m 50.18 83.54 0.04 OUTLIER 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.592 1.157 . . . . 0.0 109.8 -156.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.1 mt -108.63 151.17 26.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 163.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -75.45 161.02 29.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.114 -169.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.17 -18.54 61.25 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.766 -0.584 . . . . 0.0 109.426 171.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.08 -23.68 63.99 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.802 1.641 . . . . 0.0 113.2 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 pt -64.56 -23.63 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.063 0 CA-C-N 119.727 1.148 . . . . 0.0 111.113 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -55.55 -36.7 67.08 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.026 171.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.18 -40.48 78.09 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.005 0.922 . . . . 0.0 111.423 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.539 ' CB ' HG21 ' A' ' 48' ' ' THR . 0.2 OUTLIER -68.1 -43.77 77.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 118.68 0.673 . . . . 0.0 109.682 -179.614 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -66.64 -42.33 86.86 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 123.97 0.908 . . . . 0.0 111.057 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.7 -39.41 91.38 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.33 1.052 . . . . 0.0 111.125 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -95.93 13.82 25.59 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.404 1.082 . . . . 0.0 111.979 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -61.01 -29.89 69.98 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 119.959 -1.713 . . . . 0.0 110.278 -177.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -105.16 28.62 7.09 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.028 1.331 . . . . 0.0 114.031 174.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -68.15 174.19 4.09 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 121.066 -1.021 . . . . 0.0 108.344 157.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.02 25.29 2.89 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -164.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.22 17.45 0.53 Allowed Glycine 0 CA--C 1.524 0.653 0 O-C-N 121.093 -1.004 . . . . 0.0 111.867 -171.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -54.49 139.24 38.28 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.022 0.929 . . . . 0.0 109.389 167.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -107.87 140.06 41.54 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 122.352 1.072 . . . . 0.0 112.985 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.9 mt -112.11 104.68 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 C-N-CA 128.87 2.868 . . . . 0.0 103.622 -161.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -131.98 -9.44 3.45 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.779 0.718 . . . . 0.0 112.839 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.639 ' HB3' HG23 ' A' ' 48' ' ' THR . 4.7 t-20 -64.27 104.3 0.74 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.685 1.194 . . . . 0.0 108.251 169.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.0 ttm105 -57.64 -29.74 64.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.966 0.907 . . . . 0.0 110.406 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.45 -24.03 66.37 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.388 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 45' ' ' ASN . 6.1 p -71.01 -44.16 66.47 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 119.931 1.241 . . . . 0.0 108.805 174.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.4 -53.92 14.61 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.011 1.291 . . . . 0.0 111.246 171.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -31.07 69.33 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.572 -0.958 . . . . 0.0 113.452 177.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.63 93.03 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 119.639 1.109 . . . . 0.0 110.137 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.03 -46.91 87.91 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 C-N-CA 124.425 1.09 . . . . 0.0 108.711 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -60.21 -47.95 83.79 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.159 0.891 . . . . 0.0 111.956 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.7 t -58.54 -47.11 85.28 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.691 -0.631 . . . . 0.0 110.889 175.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.1 mt -60.18 -48.87 79.91 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.207 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.45 -43.63 55.23 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.73 1.15 . . . . 0.0 110.216 176.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 m -53.98 -54.43 39.15 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -72.44 -13.72 61.51 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.654 1.182 . . . . 0.0 113.928 -169.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -80.7 -0.67 39.33 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.405 1.457 . . . . 0.0 111.248 165.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 t30 58.56 30.31 19.63 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 127.668 2.387 . . . . 0.0 111.58 -164.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.8 mtp -79.94 2.95 21.52 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.497 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mp -118.35 125.29 49.72 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.06 1.344 . . . . 0.0 107.911 -172.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.32 166.66 6.46 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 126.53 1.932 . . . . 0.0 108.59 167.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -67.97 -16.95 46.17 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 122.691 2.261 . . . . 0.0 115.391 -164.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -88.82 -9.99 49.72 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.266 1.027 . . . . 0.0 110.785 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.25 19.33 21.44 Favored Glycine 0 N--CA 1.44 -1.044 0 C-N-CA 125.578 1.561 . . . . 0.0 112.712 172.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -91.74 153.42 19.64 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.403 -1.057 . . . . 0.0 109.101 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tt -69.39 127.61 33.64 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 118.577 0.626 . . . . 0.0 110.045 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -95.34 95.02 8.19 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 128.399 2.68 . . . . 0.0 107.803 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -57.84 -28.51 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.153 0.981 . . . . 0.0 112.385 -173.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.32 -64.28 4.51 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 125.645 1.593 . . . . 0.0 113.414 169.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -65.5 -30.12 70.85 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.614 0.721 . . . . 0.0 109.791 -177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.28 -41.12 97.04 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.182 -0.949 . . . . 0.0 112.312 174.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 24.0 ttm -72.06 -34.65 68.9 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 119.298 0.954 . . . . 0.0 111.573 173.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -57.31 -48.13 79.73 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -51.72 -45.74 63.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.846 1.258 . . . . 0.0 111.144 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.34 -60.55 3.24 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.256 1.022 . . . . 0.0 110.13 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -31.5 69.95 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 119.219 -0.42 . . . . 0.0 110.219 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -56.65 -51.42 68.79 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 126.087 1.755 . . . . 0.0 111.376 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -72.49 -17.83 61.72 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 117.408 -1.282 . . . . 0.0 113.324 -171.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.33 8.51 19.26 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 120.155 1.343 . . . . 0.0 111.968 -171.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.26 167.13 12.88 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 118.881 1.341 . . . . 0.0 109.32 178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.83 167.51 10.88 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -63.08 1.33 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.912 1.685 . . . . 0.0 111.152 -174.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 83.3 m -67.5 -23.43 65.47 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.104 0.411 . . . . 0.0 110.415 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.623 ' O ' HD22 ' A' ' 90' ' ' LEU . 6.2 ttt -61.78 -57.76 10.63 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 169.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.26 79.85 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 119.719 -1.863 . . . . 0.0 112.444 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -73.35 -21.88 60.43 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 117.59 -1.195 . . . . 0.0 112.07 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -65.57 -58.9 4.65 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 120.546 1.521 . . . . 0.0 109.109 166.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.623 HD22 ' O ' ' A' ' 86' ' ' MET . 2.1 mm? -55.69 -41.53 73.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 119.74 1.154 . . . . 0.0 111.968 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.55 -28.02 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 116.7 -1.619 . . . . 0.0 110.933 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.87 -50.07 70.27 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 122.492 2.405 . . . . 0.0 109.866 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.3 mt -67.38 -49.75 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 125.316 1.447 . . . . 0.0 108.29 -174.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.422 HG23 ' CE1' ' A' ' 118' ' ' PHE . 54.9 t -64.71 -51.8 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.764 -178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.402 ' CD2' ' HE3' ' A' ' 99' ' ' LYS . 13.9 t-160 -56.23 -35.75 67.71 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.62 -68.86 1.48 Allowed Glycine 0 C--N 1.341 0.818 0 C-N-CA 125.945 1.736 . . . . 0.0 112.0 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 33.2 m -46.6 -41.53 14.69 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 116.319 -1.801 . . . . 0.0 111.423 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -50.37 -28.98 8.99 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 121.869 2.122 . . . . 0.0 112.445 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' HE3' ' CD2' ' A' ' 95' ' ' HIS . 0.1 OUTLIER -100.72 -58.92 1.8 Allowed 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 125.287 1.435 . . . . 0.0 109.541 175.027 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.02 -38.09 78.45 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.463 1.105 . . . . 0.0 112.315 -168.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.4 m -61.09 114.8 11.57 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.09 137.4 21.47 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 122.14 1.893 . . . . 0.0 107.359 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -145.87 -176.75 5.26 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.515 0.674 . . . . 0.0 110.794 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -119.1 176.4 5.32 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.807 1.643 . . . . 0.0 107.358 162.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -3.11 11.95 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.887 0.875 . . . . 0.0 112.599 -171.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.57 97.37 0.78 Allowed 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 166.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -59.59 -22.16 61.38 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.847 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 18.5 m -55.87 -53.51 55.91 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 118.093 -0.956 . . . . 0.0 109.148 168.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.7 mm -67.73 -48.07 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 C-N-CA 125.738 1.615 . . . . 0.0 110.957 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -50.38 -60.24 3.2 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 118.703 0.683 . . . . 0.0 110.72 175.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.7 m -64.34 -31.29 72.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.319 0.963 . . . . 0.0 111.382 -177.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -54.81 31.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.729 1.212 . . . . 0.0 110.122 171.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.27 -45.22 95.67 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.644 -0.983 . . . . 0.0 110.644 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.1 t -57.82 -47.38 86.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 123.641 0.777 . . . . 0.0 109.371 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.8 95.09 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.856 -0.528 . . . . 0.0 111.012 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.1 m -72.43 -33.54 67.17 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 117.885 -1.055 . . . . 0.0 112.118 -173.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.5 p -67.52 -54.29 21.32 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.55 1.523 . . . . 0.0 108.585 170.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.422 ' CE1' HG23 ' A' ' 94' ' ' VAL . 80.7 t80 -51.74 -47.93 63.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.924 1.29 . . . . 0.0 112.412 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -49.23 -50.65 37.55 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.458 1.027 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.53 68.33 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -70.6 -41.08 72.79 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.275 1.03 . . . . 0.0 110.535 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 8.0 mm -57.93 -39.59 72.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.736 0.814 . . . . 0.0 109.128 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -63.48 -39.93 95.75 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.224 0.609 . . . . 0.0 111.402 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -66.66 -35.19 79.56 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.772 -0.58 . . . . 0.0 111.024 176.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.82 -11.15 59.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.778 1.231 . . . . 0.0 111.36 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 66.54 22.85 10.52 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 128.543 2.737 . . . . 0.0 112.67 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -82.25 29.09 0.43 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.267 -1.521 . . . . 0.0 113.749 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 117.804 -1.093 . . . . 0.0 109.183 160.281 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 118.945 -0.55 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -57.24 -42.56 81.69 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.839 0.855 . . . . 0.0 110.893 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -51.47 -52.17 48.76 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.042 0.937 . . . . 0.0 110.54 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.1 t -58.72 -46.52 90.56 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 124.037 0.935 . . . . 0.0 109.837 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 tpt -64.69 -36.47 84.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 119.468 1.031 . . . . 0.0 110.751 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -66.78 -47.67 71.41 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.386 1.074 . . . . 0.0 110.043 171.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -63.24 -32.49 73.9 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 125.244 1.417 . . . . 0.0 112.586 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.06 -49.92 76.05 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.568 1.147 . . . . 0.0 108.021 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.9 m -62.83 -30.87 71.81 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -66.13 -49.59 66.92 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -81.83 -29.17 32.73 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.819 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.24 -55.62 32.68 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.955 0.902 . . . . 0.0 108.736 170.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.81 34.92 1.42 Allowed Glycine 0 CA--C 1.525 0.7 0 CA-C-O 118.686 -1.063 . . . . 0.0 113.611 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -66.01 -72.98 0.14 Allowed 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 119.753 1.776 . . . . 0.0 108.209 166.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.9 26.26 0.06 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.21 1.404 . . . . 0.0 114.205 -169.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.58 -48.03 76.49 Favored 'General case' 0 C--O 1.223 -0.291 0 O-C-N 120.515 -1.365 . . . . 0.0 110.122 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -27.15 69.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.636 1.107 . . . . 0.0 111.174 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.23 -57.29 7.9 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 172.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.2 m -55.41 -37.78 68.07 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.855 0.862 . . . . 0.0 110.987 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -57.26 -59.32 5.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.424 1.489 . . . . 0.0 110.507 175.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -45.46 88.37 Favored 'General case' 0 N--CA 1.422 -1.874 0 C-N-CA 125.246 1.419 . . . . 0.0 109.263 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -43.02 98.76 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.264 1.026 . . . . 0.0 111.487 -173.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 45.3 mtp -112.1 -1.84 15.18 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 124.108 0.963 . . . . 0.0 111.746 -164.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.1 m 51.63 86.05 0.04 OUTLIER 'General case' 0 C--O 1.237 0.425 0 C-N-CA 126.697 1.999 . . . . 0.0 110.157 -163.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.33 143.38 48.41 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 123.296 0.638 . . . . 0.0 109.583 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -81.34 161.91 23.63 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.084 1.354 . . . . 0.0 111.902 -167.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.35 -15.68 63.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.14 -0.975 . . . . 0.0 111.547 168.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.59 -16.58 26.51 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.534 -0.746 . . . . 0.0 112.996 168.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.66 -33.46 8.45 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 120.038 1.29 . . . . 0.0 110.791 168.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -68.08 -29.44 68.39 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.551 1.541 . . . . 0.0 109.014 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.7 -44.16 87.0 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 126.092 1.757 . . . . 0.0 111.869 163.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -63.04 -60.27 3.67 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 118.854 0.752 . . . . 0.0 109.179 -176.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -54.76 -25.86 30.56 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.127 1.771 . . . . 0.0 113.156 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -77.36 -57.66 3.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.357 0.663 . . . . 0.0 110.733 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -79.73 -0.02 32.47 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 124.714 1.205 . . . . 0.0 111.83 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -49.04 -44.57 41.74 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.201 1.4 . . . . 0.0 111.142 -167.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -83.15 29.79 0.47 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.599 1.56 . . . . 0.0 114.399 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -168.34 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.086 -1.634 . . . . 0.0 108.4 162.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -118.96 23.76 11.22 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.541 -1.35 . . . . 0.0 113.685 -168.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.97 30.35 0.03 OUTLIER Glycine 0 CA--C 1.523 0.564 0 C-N-CA 125.349 1.452 . . . . 0.0 110.298 -176.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.41 126.42 28.2 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -94.42 138.66 32.09 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 122.149 0.976 . . . . 0.0 110.799 165.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.53 HG22 ' CD1' ' A' ' 112' ' ' LEU . 33.0 mt -106.78 115.71 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 104.234 -2.506 . . . . 0.0 104.234 -178.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -126.61 -14.06 5.82 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.698 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -68.65 120.66 14.99 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.256 0.935 . . . . 0.0 109.444 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -54.33 -30.8 52.57 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.68 0.792 . . . . 0.0 109.868 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.63 -38.01 89.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.925 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 p -68.23 -44.72 75.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.445 1.02 . . . . 0.0 108.904 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.462 ' HA3' ' HB2' ' A' ' 112' ' ' LEU . . . -51.8 -46.0 54.9 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.334 0.968 . . . . 0.0 112.175 177.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.457 ' SG ' ' HE3' ' A' ' 53' ' ' MET . 0.0 OUTLIER -74.89 -33.9 62.12 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.542 177.378 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.25 77.12 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.837 1.199 . . . . 0.0 109.75 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.1 mt -53.83 -51.5 44.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.485 1.514 . . . . 0.0 108.812 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.457 ' HE3' ' SG ' ' A' ' 50' ' ' CYS . 5.7 ttm -57.62 -44.45 85.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.148 0.579 . . . . 0.0 112.221 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.1 t -60.37 -48.13 83.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.546 -0.721 . . . . 0.0 109.985 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.41 -41.45 84.98 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.197 0.599 . . . . 0.0 110.301 176.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.3 m -56.98 -51.68 68.25 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.055 0.843 . . . . 0.0 111.645 172.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 m -50.34 -49.11 54.97 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.451 1.478 . . . . 0.0 111.26 171.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -66.69 -10.97 52.02 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.547 -0.739 . . . . 0.0 112.541 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 mt -114.76 19.56 15.86 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.654 1.181 . . . . 0.0 110.361 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.5 t30 47.49 48.39 16.78 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 127.418 2.287 . . . . 0.0 109.843 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 45.3 mtm -97.96 10.13 41.05 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.284 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.5 mt -114.86 109.49 18.23 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 120.149 1.341 . . . . 0.0 108.269 170.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.6 169.88 0.93 Allowed Pre-proline 0 C--O 1.242 0.682 0 C-N-CA 127.611 2.365 . . . . 0.0 109.228 174.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -82.52 43.59 1.52 Allowed 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.402 2.735 . . . . 0.0 113.768 -155.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -149.81 -35.87 0.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 129.582 3.153 . . . . 0.0 109.371 -170.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.14 37.38 2.51 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.102 1.335 . . . . 0.0 110.996 -167.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -120.79 161.26 21.77 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.171 1.388 . . . . 0.0 108.62 173.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.9 123.82 23.54 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 120.063 1.301 . . . . 0.0 110.349 -174.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -76.66 84.68 3.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.969 0.908 . . . . 0.0 109.17 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.4 ' CD2' HG23 ' A' ' 91' ' ' ILE . 44.0 m80 -56.09 -33.94 65.55 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.053 1.341 . . . . 0.0 113.024 -178.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.65 -62.44 6.36 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -66.37 -24.3 66.47 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 124.21 1.004 . . . . 0.0 112.626 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.72 -51.16 44.48 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.922 1.289 . . . . 0.0 110.7 172.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.7 ttm -62.93 -36.75 84.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.063 0.545 . . . . 0.0 111.064 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -46.22 89.82 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 118.87 0.759 . . . . 0.0 109.967 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -56.49 -40.14 74.45 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.856 0.462 . . . . 0.0 111.026 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.99 -56.28 16.26 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.664 0.786 . . . . 0.0 110.659 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -29.24 69.64 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.466 -0.771 . . . . 0.0 111.984 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -54.86 -42.35 71.92 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 125.391 1.477 . . . . 0.0 111.414 170.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -78.66 -5.13 52.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.255 0.622 . . . . 0.0 112.174 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.32 28.51 57.82 Favored Glycine 0 CA--C 1.524 0.602 0 O-C-N 121.056 -1.027 . . . . 0.0 111.748 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 140.15 58.25 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.46 1.13 . . . . 0.0 108.822 165.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.5 162.34 15.53 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 123.493 0.495 . . . . 0.0 109.858 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -61.17 -53.96 50.43 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 118.775 -0.631 . . . . 0.0 111.454 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.8 m -62.88 -34.58 77.7 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 118.684 0.675 . . . . 0.0 110.803 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.404 ' O ' HD22 ' A' ' 90' ' ' LEU . 6.1 ttt -59.89 -58.18 9.66 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.89 -33.46 74.26 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.548 -0.72 . . . . 0.0 111.752 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -61.04 -46.19 91.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 117.89 -1.052 . . . . 0.0 109.151 173.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -57.55 -54.06 51.15 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.427 1.491 . . . . 0.0 111.31 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.404 HD22 ' O ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -55.52 -45.06 77.17 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 120.766 1.621 . . . . 0.0 112.642 178.707 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.4 HG23 ' CD2' ' A' ' 70' ' ' HIS . 1.7 mp -67.45 -43.14 87.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 CA-C-N 119.909 1.231 . . . . 0.0 109.85 175.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.3 -43.82 79.29 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 121.108 1.776 . . . . 0.0 111.127 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.52 -48.39 35.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.884 1.274 . . . . 0.0 109.733 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.459 HG23 ' CE1' ' A' ' 118' ' ' PHE . 41.1 t -58.9 -59.89 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 119.82 1.191 . . . . 0.0 108.811 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -53.96 -25.4 20.52 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.336 1.855 . . . . 0.0 109.821 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -76.19 -62.43 2.6 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 126.64 2.067 . . . . 0.0 111.568 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.58 -29.64 64.62 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 116.434 -1.746 . . . . 0.0 110.296 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -49.29 -27.88 4.26 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 121.951 2.16 . . . . 0.0 113.522 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 -37.52 4.43 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.222 1.009 . . . . 0.0 111.318 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 m -68.75 -22.75 64.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.625 1.17 . . . . 0.0 113.561 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 16.5 m -91.81 116.39 66.37 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 118.595 0.634 . . . . 0.0 110.117 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.99 133.64 21.93 Favored 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 122.718 2.279 . . . . 0.0 109.052 174.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -161.42 176.73 10.81 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 129.098 2.959 . . . . 0.0 107.108 170.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.48 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 0.8 OUTLIER -74.02 -169.82 0.82 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.296 0.569 . . . . 0.0 109.706 172.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.8 -3.43 18.84 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.677 0.791 . . . . 0.0 112.8 162.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.48 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 50.2 t0 -71.06 93.56 1.04 Allowed 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -32.65 37.57 Favored 'General case' 0 C--O 1.227 -0.098 0 C-N-CA 124.896 1.279 . . . . 0.0 110.663 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 22.5 m -60.12 -54.73 42.5 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 119.474 1.034 . . . . 0.0 109.622 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.5 mt -64.91 -41.16 91.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 125.183 1.393 . . . . 0.0 109.685 -173.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -57.48 -61.62 2.36 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 126.082 1.753 . . . . 0.0 111.945 172.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.0 m -59.59 -34.03 72.21 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.848 1.204 . . . . 0.0 111.666 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.53 ' CD1' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -53.2 -50.89 63.75 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.074 0.95 . . . . 0.0 110.104 169.672 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.66 -53.43 43.7 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.0 t -52.62 -47.2 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.767 1.227 . . . . 0.0 109.474 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.21 -31.31 71.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.33 -0.856 . . . . 0.0 112.969 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 25.5 m -79.17 -48.71 13.77 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.293 1.037 . . . . 0.0 110.737 -175.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 8.8 p -59.77 -43.23 94.44 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.005 0.821 . . . . 0.0 109.991 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.459 ' CE1' HG23 ' A' ' 94' ' ' VAL . 89.1 t80 -59.39 -46.66 88.07 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.546 1.138 . . . . 0.0 110.817 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -48.1 -51.61 23.88 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.195 0.907 . . . . 0.0 111.083 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.62 -33.1 71.08 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.49 -43.96 95.76 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 120.838 -1.164 . . . . 0.0 109.297 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.9 mm -57.34 -42.43 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 119.012 0.824 . . . . 0.0 110.342 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -57.1 -52.17 66.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.695 0.398 . . . . 0.0 110.334 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -58.93 -46.34 88.2 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.311 -0.868 . . . . 0.0 112.168 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.05 -13.75 29.21 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.748 1.219 . . . . 0.0 110.62 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 60.66 50.6 5.51 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 128.859 2.864 . . . . 0.0 110.622 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -110.03 25.48 11.74 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.284 1.434 . . . . 0.0 111.281 -174.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.942 0 O-C-N 121.201 -0.937 . . . . 0.0 109.12 172.396 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.467 0.383 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -62.49 -40.43 96.67 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.653 0.781 . . . . 0.0 110.456 -172.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -49.36 66.86 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 124.543 1.137 . . . . 0.0 110.664 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -65.46 -31.93 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.719 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -48.85 79.92 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.745 1.611 . . . . 0.0 109.212 174.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -56.49 -50.16 72.59 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.542 1.137 . . . . 0.0 110.247 176.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -65.45 -43.62 89.8 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.508 0.723 . . . . 0.0 112.066 -177.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.1 mt -59.33 -52.88 63.73 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 124.844 1.258 . . . . 0.0 108.753 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 p -66.41 -22.84 66.23 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.299 0.5 . . . . 0.0 112.238 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -73.23 -57.33 4.09 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 124.529 1.132 . . . . 0.0 108.098 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -64.28 -40.13 95.33 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.921 -174.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HA ' HD11 ' A' ' 59' ' ' LEU . 2.3 t80 -52.31 -48.14 65.58 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.998 0.919 . . . . 0.0 110.353 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.16 20.34 17.16 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-O 118.942 -0.921 . . . . 0.0 114.471 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -55.48 -65.35 0.61 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.817 1.809 . . . . 0.0 110.184 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.85 22.02 0.07 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.141 1.376 . . . . 0.0 112.676 -178.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 tp -54.43 -51.09 66.05 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 119.857 1.208 . . . . 0.0 110.414 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -72.49 -34.69 67.84 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.526 -172.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -55.8 -58.34 8.25 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 170.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.6 m -55.94 -33.93 65.18 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.689 0.796 . . . . 0.0 113.134 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -60.91 -60.4 3.85 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -65.56 -39.3 91.52 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 118.955 0.798 . . . . 0.0 109.526 -174.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.55 -44.19 69.04 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.799 1.24 . . . . 0.0 112.447 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.0 mtm -112.77 8.03 18.72 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.316 1.046 . . . . 0.0 112.175 -172.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m 47.0 75.12 0.13 Allowed 'General case' 0 C--O 1.234 0.265 0 C-N-CA 126.123 1.769 . . . . 0.0 111.888 -166.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -112.08 164.32 13.28 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.7 p -104.14 173.25 6.38 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -157.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -28.85 64.71 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 115.617 -2.135 . . . . 0.0 110.367 171.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.37 10.51 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 124.903 1.281 . . . . 0.0 113.367 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.513 HG22 HG22 ' A' ' 48' ' ' THR . 5.7 pt -65.47 -20.55 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 118.313 -0.851 . . . . 0.0 112.103 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -60.76 -34.47 74.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 120.301 1.41 . . . . 0.0 110.211 167.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -35.06 66.95 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -174.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.406 ' OD2' HG23 ' A' ' 43' ' ' ILE . 5.0 t0 -60.72 -63.47 1.29 Allowed 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 119.201 0.91 . . . . 0.0 108.931 169.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -63.53 -29.81 71.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -168.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -66.68 -58.94 4.09 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.465 1.506 . . . . 0.0 110.439 167.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -80.72 9.79 5.76 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.819 1.248 . . . . 0.0 112.305 -175.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -58.11 -34.9 70.69 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 119.975 -1.703 . . . . 0.0 108.245 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -101.79 19.79 17.55 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.45 2.3 . . . . 0.0 112.251 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -70.61 176.39 4.17 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-O 122.964 1.364 . . . . 0.0 109.686 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.06 32.28 0.14 Allowed 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 127.811 2.444 . . . . 0.0 116.103 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.01 2.76 4.61 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.32 0.962 . . . . 0.0 112.828 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -46.07 150.57 0.57 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.368 1.867 . . . . 0.0 112.538 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -111.19 136.18 50.64 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 122.194 0.997 . . . . 0.0 112.872 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.406 HG23 ' OD2' ' A' ' 32' ' ' ASP . 90.8 mt -107.45 104.43 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -129.67 2.3 4.96 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.796 0.725 . . . . 0.0 112.915 174.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -65.24 125.08 23.91 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.718 0.807 . . . . 0.0 109.821 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -67.03 -29.24 68.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.749 -1.22 . . . . 0.0 109.518 171.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -61.46 -37.26 82.92 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.513 HG22 HG22 ' A' ' 29' ' ' ILE . 44.4 p -73.82 -39.99 63.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.2 -45.82 43.49 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.887 1.232 . . . . 0.0 111.444 171.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -36.66 69.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 178.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.22 86.05 Favored 'General case' 0 CA--C 1.526 0.029 0 CA-C-N 118.995 0.816 . . . . 0.0 109.862 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.434 HD13 ' CB ' ' A' ' 115' ' ' ALA . 55.8 mt -51.19 -55.1 8.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 176.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.06 -41.15 96.07 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -176.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.8 t -59.09 -46.59 87.91 Favored 'General case' 0 CA--C 1.523 -0.066 0 O-C-N 121.669 -0.644 . . . . 0.0 110.304 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.3 -38.76 92.19 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 117.535 -1.221 . . . . 0.0 109.275 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -52.4 -51.68 57.8 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 120.642 1.565 . . . . 0.0 110.92 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 m -52.0 -59.79 3.94 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.693 0.678 . . . . 0.0 110.685 172.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -66.33 -16.56 64.15 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -170.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 12' ' ' PHE . 49.2 mt -86.72 -2.86 58.87 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 120.927 -1.108 . . . . 0.0 112.275 175.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 42.25 81.76 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.543 1.937 . . . . 0.0 109.542 -151.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.9 mtp -122.97 6.65 9.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.773 169.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.8 mt -110.12 142.18 41.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.256 0.934 . . . . 0.0 108.807 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -71.5 170.34 12.27 Favored Pre-proline 0 CA--C 1.536 0.435 0 C-N-CA 124.276 1.031 . . . . 0.0 109.243 171.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -84.35 41.85 1.07 Allowed 'Trans proline' 0 N--CA 1.455 -0.747 0 CA-C-N 119.736 0.941 . . . . 0.0 110.622 -172.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -147.61 -23.92 0.37 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.95 2.1 . . . . 0.0 110.129 -173.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 115.71 -1.95 21.61 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 126.728 2.109 . . . . 0.0 113.69 173.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -78.7 172.54 13.57 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.685 1.243 . . . . 0.0 108.419 171.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt -72.11 141.13 49.17 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 120.704 -1.248 . . . . 0.0 110.063 163.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -84.66 108.6 17.47 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.592 0.757 . . . . 0.0 110.268 173.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -58.66 -36.21 73.8 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 120.54 -1.35 . . . . 0.0 113.96 -174.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.78 -67.28 2.12 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -56.92 -33.55 67.08 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -171.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.11 78.05 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.011 0.924 . . . . 0.0 109.938 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 42.0 ttm -69.55 -29.92 67.6 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 121.842 -0.536 . . . . 0.0 112.092 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.25 -42.11 99.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.598 1.09 . . . . 0.0 109.406 170.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -58.69 -40.09 82.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.25 0.932 . . . . 0.0 110.255 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.6 -59.16 4.61 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 123.726 0.81 . . . . 0.0 111.207 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -35.39 80.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.688 -0.672 . . . . 0.0 110.241 -175.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -46.47 -55.82 6.89 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.627 1.171 . . . . 0.0 111.147 167.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -75.26 -1.62 24.33 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.184 -0.912 . . . . 0.0 112.89 -174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.55 10.18 44.83 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 119.805 1.184 . . . . 0.0 113.078 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.98 149.07 50.44 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.567 1.184 . . . . 0.0 111.261 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.76 165.85 23.12 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 176.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.29 -54.33 18.23 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.515 -0.74 . . . . 0.0 111.391 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 61.2 m -58.51 -38.01 76.81 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 118.729 0.695 . . . . 0.0 109.76 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.623 ' O ' HD22 ' A' ' 90' ' ' LEU . 9.6 ttt -57.54 -60.32 3.83 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 123.734 0.814 . . . . 0.0 108.91 173.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.47 74.11 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 119.044 -0.503 . . . . 0.0 111.749 -171.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -71.97 -39.95 68.97 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 117.05 -1.452 . . . . 0.0 110.536 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -49.9 -57.38 7.57 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 120.113 1.324 . . . . 0.0 109.505 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.623 HD22 ' O ' ' A' ' 86' ' ' MET . 0.4 OUTLIER -54.67 -48.26 72.6 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 117.114 -1.422 . . . . 0.0 112.932 177.724 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.69 -35.15 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 120.034 1.288 . . . . 0.0 111.023 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -64.87 -47.69 76.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 120.366 1.439 . . . . 0.0 109.009 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.3 mt -61.02 -55.64 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 124.17 0.988 . . . . 0.0 108.441 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.7 t -58.16 -52.43 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.437 1.095 . . . . 0.0 109.817 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -62.91 -43.25 99.29 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 -168.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.19 -60.67 7.82 Favored Glycine 0 C--N 1.343 0.942 0 C-N-CA 125.17 1.367 . . . . 0.0 110.271 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.2 m -55.18 -35.48 64.84 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 125.279 1.432 . . . . 0.0 112.713 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.7 -17.65 9.63 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 121.995 2.179 . . . . 0.0 113.118 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -113.03 -46.15 3.12 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.411 1.485 . . . . 0.0 110.678 171.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 m -57.05 -48.35 78.74 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.536 1.534 . . . . 0.0 112.331 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.0 m -62.11 124.17 81.0 Favored Pre-proline 0 N--CA 1.447 -0.6 0 C-N-CA 124.248 1.019 . . . . 0.0 110.31 -175.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.83 148.57 41.22 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.087 2.525 . . . . 0.0 109.872 165.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -151.33 -173.7 4.59 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.276 1.83 . . . . 0.0 108.553 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -109.29 -177.25 3.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 152.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -22.08 9.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 125.456 1.502 . . . . 0.0 113.056 -178.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -61.95 96.26 0.07 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.882 1.273 . . . . 0.0 109.521 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.453 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -48.11 -29.98 4.11 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.696 1.198 . . . . 0.0 111.567 168.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 38.8 m -61.1 -52.47 64.77 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.783 1.174 . . . . 0.0 109.594 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.9 mm -62.06 -49.31 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.671 1.588 . . . . 0.0 108.772 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.453 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 39.4 t90 -49.19 -58.55 4.81 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 125.73 1.612 . . . . 0.0 110.991 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.7 m -62.11 -37.85 86.66 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 119.5 -0.286 . . . . 0.0 111.142 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -46.76 69.12 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.412 1.085 . . . . 0.0 109.766 171.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.33 -49.28 62.03 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 123.978 0.799 . . . . 0.0 111.608 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.55 -44.3 84.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 118.117 0.958 . . . . 0.0 109.589 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.434 ' CB ' HD13 ' A' ' 52' ' ' ILE . . . -65.6 -33.26 75.5 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.615 -1.303 . . . . 0.0 111.751 176.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 m -80.18 -29.82 38.71 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 117.652 -1.166 . . . . 0.0 112.963 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.71 -54.46 31.26 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.903 1.683 . . . . 0.0 107.439 164.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -54.02 -44.11 70.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.847 1.659 . . . . 0.0 112.487 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -43.22 -60.94 1.48 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.818 1.247 . . . . 0.0 109.786 172.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.47 -31.86 68.22 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 123.102 0.251 . . . . 0.0 111.574 -171.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -66.57 -46.85 74.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.666 1.186 . . . . 0.0 111.152 172.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 13.9 mm -56.0 -42.93 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 120.655 1.57 . . . . 0.0 110.13 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -62.37 -42.91 99.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.35 0.66 . . . . 0.0 110.179 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -44.88 90.47 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 120.327 -1.483 . . . . 0.0 108.791 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.45 -10.7 59.84 Favored 'General case' 0 N--CA 1.438 -1.07 0 O-C-N 124.809 1.318 . . . . 0.0 110.552 -174.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.7 t30 69.77 28.99 4.23 Favored 'General case' 0 C--N 1.342 0.278 0 C-N-CA 127.802 2.441 . . . . 0.0 111.818 -176.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -94.74 42.43 1.09 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.508 1.123 . . . . 0.0 110.891 -173.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.154 0 C-N-CA 131.169 3.787 . . . . 0.0 104.079 -146.614 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 N--CA 1.464 0.27 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -47.72 77.24 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.406 1.482 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -52.87 -56.36 16.4 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.611 1.164 . . . . 0.0 111.83 -165.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.9 t -69.99 -25.71 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 123.546 0.738 . . . . 0.0 110.509 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -49.66 72.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 119.674 1.124 . . . . 0.0 109.592 179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -54.51 -55.91 24.27 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -59.85 -37.16 78.47 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 123.866 0.867 . . . . 0.0 112.618 -173.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.44 -55.11 34.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 124.446 1.098 . . . . 0.0 109.369 174.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 m -62.83 -29.57 70.83 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.53 -46.95 68.19 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.593 1.557 . . . . 0.0 108.158 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.439 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 20.8 m-80 -77.1 -32.36 56.53 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.729 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.53 -49.59 67.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.744 1.218 . . . . 0.0 108.363 167.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.06 7.32 3.26 Favored Glycine 0 CA--C 1.537 1.46 0 CA-C-O 118.377 -1.235 . . . . 0.0 115.847 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HG3' ' HA ' ' A' ' 11' ' ' ASN . 31.9 mttt -65.58 -40.27 92.54 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.599 2.699 . . . . 0.0 111.274 175.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.34 11.08 9.03 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.98 1.264 . . . . 0.0 113.737 -178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.13 -42.96 83.59 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 120.91 -1.119 . . . . 0.0 111.333 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.35 -28.99 65.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.316 0.646 . . . . 0.0 110.677 -172.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.6 -60.66 3.44 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.897 1.279 . . . . 0.0 108.193 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.3 m -54.31 -36.13 63.39 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.955 0.902 . . . . 0.0 110.872 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -61.37 -52.36 64.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 120.432 -1.417 . . . . 0.0 111.058 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 tttm -59.8 -50.15 74.94 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.54 -60.85 2.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.713 0.805 . . . . 0.0 110.862 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.1 mtp -94.58 4.5 53.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.381 0.673 . . . . 0.0 111.274 -161.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.5 m 46.76 87.86 0.02 OUTLIER 'General case' 0 C--O 1.236 0.382 0 C-N-CA 125.481 1.512 . . . . 0.0 109.806 -159.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HB3' HD13 ' A' ' 29' ' ' ILE . 36.1 mt -115.73 143.81 44.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.447 0.567 . . . . 0.0 110.317 173.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -76.78 -171.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 122.868 1.318 . . . . 0.0 112.713 -173.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.13 -9.97 49.04 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 121.086 -1.009 . . . . 0.0 111.868 167.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.91 -24.68 67.6 Favored 'General case' 0 C--O 1.228 -0.057 0 CA-C-N 119.029 0.831 . . . . 0.0 111.287 177.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -72.66 -36.31 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 171.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -70.98 -16.87 62.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 123.72 0.808 . . . . 0.0 110.277 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.47 -51.71 11.24 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -55.34 -59.38 4.88 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -58.36 -30.63 66.91 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.63 -1.294 . . . . 0.0 113.699 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -69.83 -42.1 74.07 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.356 0.98 . . . . 0.0 111.277 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -105.18 0.39 27.29 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 125.25 1.42 . . . . 0.0 113.803 -167.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -45.61 -42.83 11.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 129.406 3.082 . . . . 0.0 111.651 -169.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -90.1 45.25 1.25 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.572 1.149 . . . . 0.0 113.112 173.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -81.93 172.44 13.28 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.409 1.084 . . . . 0.0 108.572 166.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -49.79 83.76 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 127.82 2.448 . . . . 0.0 112.069 163.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.63 29.48 7.74 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 117.406 -1.774 . . . . 0.0 115.0 174.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -48.31 147.2 2.4 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 119.819 1.809 . . . . 0.0 108.545 172.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -118.22 133.62 55.73 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 122.255 1.026 . . . . 0.0 109.723 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.3 mt -97.85 124.77 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 104.113 -2.551 . . . . 0.0 104.113 -163.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -124.25 -32.06 3.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -172.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.13 110.16 0.89 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.221 1.009 . . . . 0.0 110.235 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -54.56 -28.23 44.43 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 121.279 -0.888 . . . . 0.0 111.144 173.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.34 -31.7 73.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 117.495 -1.241 . . . . 0.0 112.38 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -41.3 73.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 120.347 1.431 . . . . 0.0 108.522 -178.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.92 43.36 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.72 1.152 . . . . 0.0 111.613 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -38.03 89.3 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.82 -0.812 . . . . 0.0 113.03 175.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.98 91.89 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.681 0.673 . . . . 0.0 109.976 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.42 -42.03 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.29 1.436 . . . . 0.0 109.562 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -62.07 -47.6 83.94 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.516 0.727 . . . . 0.0 111.064 176.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.33 -48.85 80.0 Favored 'General case' 0 N--CA 1.461 0.106 0 O-C-N 121.914 -0.491 . . . . 0.0 110.648 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.7 mt -54.82 -47.76 73.68 Favored 'General case' 0 C--O 1.227 -0.11 0 C-N-CA 123.823 0.849 . . . . 0.0 109.796 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -47.87 -58.67 4.08 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.887 0.875 . . . . 0.0 111.693 173.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -39.73 91.26 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 119.961 -1.712 . . . . 0.0 111.07 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -58.3 -43.51 88.12 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.421 1.088 . . . . 0.0 109.885 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -79.86 -12.24 59.76 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 126.419 1.888 . . . . 0.0 111.25 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t30 75.93 74.69 0.09 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 129.254 3.022 . . . . 0.0 109.297 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 23.0 mtp -131.12 16.63 5.08 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.665 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.3 mt -114.58 124.57 52.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 121.024 1.738 . . . . 0.0 107.957 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.61 166.4 3.32 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 124.477 1.111 . . . . 0.0 108.332 173.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -66.36 -17.03 53.34 Favored 'Trans proline' 0 CA--C 1.535 0.532 0 C-N-CA 121.925 1.75 . . . . 0.0 112.253 -175.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -85.78 -35.26 20.84 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 120.692 -1.255 . . . . 0.0 109.426 173.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.75 -1.46 17.78 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 129.089 3.233 . . . . 0.0 112.403 -170.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -72.33 25.51 0.05 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.383 1.873 . . . . 0.0 114.994 -172.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.49 HD13 ' CG1' ' A' ' 94' ' ' VAL . 1.6 tt 65.15 125.24 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.539 2.736 . . . . 0.0 113.412 -174.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -85.56 91.49 8.27 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.403 -0.811 . . . . 0.0 109.922 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -58.92 -36.3 74.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 123.996 0.918 . . . . 0.0 112.874 -173.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.14 -68.82 1.5 Allowed Glycine 0 CA--C 1.528 0.888 0 CA-C-O 119.424 -0.653 . . . . 0.0 111.571 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -51.18 -38.02 49.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.264 1.032 . . . . 0.0 112.473 174.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.72 93.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.076 0.853 . . . . 0.0 111.483 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.5 ttm -68.69 -40.71 79.94 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.177 0.991 . . . . 0.0 110.819 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -49.13 63.68 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.922 1.689 . . . . 0.0 109.459 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.66 -43.5 89.86 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.536 1.134 . . . . 0.0 111.306 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.93 -56.57 19.52 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.225 0.466 . . . . 0.0 110.336 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -29.56 70.85 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.577 0.751 . . . . 0.0 111.813 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -59.16 -40.43 85.57 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.946 1.298 . . . . 0.0 111.28 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -81.11 -17.24 50.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 117.961 0.346 . . . . 0.0 111.298 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.92 20.78 10.91 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.45 1.024 . . . . 0.0 112.714 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.71 147.69 52.97 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.798 1.299 . . . . 0.0 109.345 170.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.96 157.86 37.48 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -177.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -61.25 -49.16 78.23 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.41 1.484 . . . . 0.0 112.736 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -58.59 -43.84 89.65 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.6 ttt -59.31 -56.97 15.34 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.518 0.727 . . . . 0.0 109.303 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.29 68.44 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.193 -0.942 . . . . 0.0 112.729 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -68.98 -40.35 78.86 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 117.794 -1.098 . . . . 0.0 110.616 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -54.28 -48.74 70.89 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.923 1.238 . . . . 0.0 112.229 171.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.9 -54.78 25.4 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.645 1.111 . . . . 0.0 110.461 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.38 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 CA-C-O 117.093 -1.432 . . . . 0.0 109.926 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.01 -43.62 95.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 120.59 1.541 . . . . 0.0 110.617 -175.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.98 -42.51 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.49 ' CG1' HD13 ' A' ' 68' ' ' LEU . 26.7 t -62.81 -54.03 39.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.284 1.034 . . . . 0.0 109.807 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -53.17 -37.7 62.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.578 1.951 . . . . 0.0 109.092 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.69 4.74 27.14 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 127.543 2.497 . . . . 0.0 114.657 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.408 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 16.4 m -132.12 -33.15 1.35 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.728 1.764 . . . . 0.0 111.538 174.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.577 ' OE1' HG11 ' A' ' 114' ' ' VAL . 7.0 mm-40 -55.56 -19.99 11.87 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 121.793 2.088 . . . . 0.0 113.691 -174.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -113.83 -48.53 2.91 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 120.463 -1.398 . . . . 0.0 109.688 171.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.408 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . 37.4 m -50.43 -53.2 31.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.287 2.235 . . . . 0.0 113.165 -176.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.2 m -59.21 123.3 69.15 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 124.653 1.181 . . . . 0.0 110.189 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.44 134.68 21.05 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.677 2.918 . . . . 0.0 110.548 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -148.18 166.1 28.92 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.452 0.701 . . . . 0.0 110.794 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -90.61 -176.62 4.79 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.116 1.767 . . . . 0.0 109.243 162.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -12.57 47.83 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.67 1.188 . . . . 0.0 112.561 -176.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.401 ' HB3' ' H ' ' A' ' 109' ' ' ILE . 0.5 OUTLIER -63.52 97.91 0.16 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 172.06 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -53.06 -26.61 16.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.056 167.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 45.1 m -61.86 -54.28 44.23 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 119.904 1.229 . . . . 0.0 110.512 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.401 ' H ' ' HB3' ' A' ' 106' ' ' ASP . 9.2 mm -65.28 -38.47 82.69 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 C-N-CA 125.073 1.349 . . . . 0.0 108.804 -171.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -50.16 -72.97 0.04 OUTLIER 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 126.234 1.813 . . . . 0.0 110.706 168.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.3 m -59.66 -29.49 68.09 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.451 0.569 . . . . 0.0 111.694 -173.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.42 -57.38 7.07 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.096 0.958 . . . . 0.0 110.419 168.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.16 -33.3 69.18 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-O 118.553 -1.137 . . . . 0.0 112.167 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.577 HG11 ' OE1' ' A' ' 98' ' ' GLU . 47.6 t -67.97 -34.28 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 119.155 1.477 . . . . 0.0 109.452 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.63 -39.89 64.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 O-C-N 120.711 -1.243 . . . . 0.0 110.362 171.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.1 m -68.03 -42.86 79.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.081 0.855 . . . . 0.0 111.638 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 26.4 p -57.77 -54.18 49.78 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 119.554 1.07 . . . . 0.0 109.344 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.42 -42.74 74.55 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.59 1.956 . . . . 0.0 111.186 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.93 -51.96 64.47 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.251 176.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.52 -41.76 63.75 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.916 0.78 . . . . 0.0 111.167 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -62.07 -43.39 98.94 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 121.409 -0.807 . . . . 0.0 112.349 177.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.04 -41.1 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.385 0.993 . . . . 0.0 110.146 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -58.97 -46.29 88.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -63.37 -43.26 98.13 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.145 -0.972 . . . . 0.0 111.136 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.08 -15.3 63.63 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.927 1.291 . . . . 0.0 112.61 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.61 41.35 2.32 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.042 1.337 . . . . 0.0 110.608 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 23.7 m0 -113.11 29.88 7.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.196 0.999 . . . . 0.0 110.709 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 C-N-CA 125.461 1.504 . . . . 0.0 109.193 178.685 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.489 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -38.34 62.9 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 125.108 1.363 . . . . 0.0 111.525 171.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -41.75 -55.6 2.95 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 128.11 2.564 . . . . 0.0 112.916 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -85.73 -34.84 8.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 O-C-N 122.101 -0.375 . . . . 0.0 110.75 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -43.96 74.37 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.069 0.948 . . . . 0.0 111.607 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -57.34 -53.45 57.93 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.26 1.024 . . . . 0.0 110.455 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -62.23 -37.79 86.72 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.533 1.133 . . . . 0.0 112.02 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.93 -54.39 47.43 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 124.275 1.03 . . . . 0.0 108.887 176.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -71.32 -9.85 58.8 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.98 -0.533 . . . . 0.0 112.101 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -84.92 -53.94 4.99 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.525 1.13 . . . . 0.0 109.325 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -63.24 -27.97 69.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.677 1.191 . . . . 0.0 111.369 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -53.68 -45.88 70.46 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.603 0.761 . . . . 0.0 110.699 168.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.35 7.27 57.72 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-O 118.397 -1.224 . . . . 0.0 115.011 -176.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -58.84 -29.74 67.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 120.125 1.963 . . . . 0.0 112.743 -175.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.65 14.04 33.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.301 1.04 . . . . 0.0 113.185 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.55 -51.41 69.56 Favored 'General case' 0 C--O 1.228 -0.077 0 O-C-N 121.091 -1.006 . . . . 0.0 111.346 -173.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -66.4 -28.5 68.67 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.24 1.016 . . . . 0.0 111.065 -175.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.68 -54.47 27.05 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -31.41 70.78 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -55.47 -48.98 73.69 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 121.642 -0.661 . . . . 0.0 109.385 170.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -75.58 -20.37 58.66 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.35 0.977 . . . . 0.0 113.356 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.2 -71.48 0.26 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.334 0.97 . . . . 0.0 109.005 172.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.5 mtm -86.78 -0.8 57.04 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.238 1.415 . . . . 0.0 110.984 -165.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 m 61.19 68.64 0.72 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.82 2.448 . . . . 0.0 112.546 -176.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.8 mt -110.27 151.13 27.74 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.4 p -96.19 174.08 7.08 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.448 0.699 . . . . 0.0 110.208 -155.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -15.71 62.92 Favored 'General case' 0 N--CA 1.439 -0.996 0 O-C-N 120.825 -1.172 . . . . 0.0 111.657 172.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.27 -34.39 73.68 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 118.918 -0.563 . . . . 0.0 110.195 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.462 ' HB ' HG22 ' A' ' 48' ' ' THR . 3.7 pt -67.8 -29.6 45.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 119.265 0.939 . . . . 0.0 111.277 178.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -61.39 -33.65 74.02 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 119.836 1.198 . . . . 0.0 108.972 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -45.09 74.56 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 175.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.441 ' CB ' HG21 ' A' ' 48' ' ' THR . 0.9 OUTLIER -62.1 -47.45 84.59 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 119.404 1.002 . . . . 0.0 109.777 -175.502 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -65.12 -44.7 87.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.876 1.27 . . . . 0.0 110.898 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -63.18 -54.35 38.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 119.025 0.829 . . . . 0.0 110.069 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -76.49 1.04 17.71 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 117.72 -1.133 . . . . 0.0 112.064 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -51.13 -41.81 60.32 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 121.533 1.969 . . . . 0.0 110.495 -172.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -82.61 8.07 12.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.354 1.462 . . . . 0.0 114.638 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -61.44 166.51 3.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 120.553 1.524 . . . . 0.0 108.966 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.1 40.33 0.91 Allowed 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.725 1.21 . . . . 0.0 113.811 -169.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.83 12.54 0.47 Allowed Glycine 0 CA--C 1.525 0.696 0 CA-C-O 118.602 -1.11 . . . . 0.0 113.849 171.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -55.23 140.9 37.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.47 1.135 . . . . 0.0 109.938 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.03 134.63 50.65 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.093 0.957 . . . . 0.0 110.619 171.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.5 mt -96.69 112.71 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 -176.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -128.17 4.48 5.82 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 174.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.524 ' HB3' HG23 ' A' ' 48' ' ' THR . 2.1 m-20 -65.41 106.29 1.36 Allowed 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 166.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -57.71 -27.62 63.1 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.018 -1.051 . . . . 0.0 109.825 166.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.68 -36.02 71.38 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.967 174.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.524 HG23 ' HB3' ' A' ' 45' ' ' ASN . 15.3 p -69.7 -40.5 76.28 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 120.323 1.419 . . . . 0.0 108.247 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.91 -47.8 52.94 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 118.962 0.801 . . . . 0.0 111.24 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.56 -35.65 73.2 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.876 -0.779 . . . . 0.0 112.928 176.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.24 -50.9 71.17 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.165 0.893 . . . . 0.0 110.766 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.92 -46.31 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 127.465 2.306 . . . . 0.0 108.483 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 10.8 tmm? -60.42 -51.26 70.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.757 0.708 . . . . 0.0 110.805 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.9 t -51.22 -51.8 50.48 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 123.363 0.665 . . . . 0.0 110.078 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.8 mt -53.82 -54.4 38.9 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.347 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.8 m -52.53 -48.77 65.87 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 119.751 1.16 . . . . 0.0 112.127 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -41.96 89.96 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.025 0.83 . . . . 0.0 111.45 176.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -60.18 -35.17 74.77 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.812 -1.18 . . . . 0.0 111.086 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -76.17 -4.54 42.22 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.064 0.847 . . . . 0.0 112.395 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t30 62.54 41.67 9.4 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 129.114 2.966 . . . . 0.0 112.342 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.6 mtt -88.5 -3.32 58.84 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.971 -1.081 . . . . 0.0 112.821 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 69.8 mt -103.29 123.16 46.25 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 171.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.12 -178.71 1.1 Allowed Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 126.483 1.913 . . . . 0.0 110.332 -172.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -57.95 -5.81 2.24 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.47 2.78 . . . . 0.0 115.206 173.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -100.39 -21.94 15.23 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.374 1.069 . . . . 0.0 111.106 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.7 26.92 66.13 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 118.46 -1.189 . . . . 0.0 112.4 -169.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -136.71 79.9 1.79 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.341 1.571 . . . . 0.0 108.566 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 tp 43.56 113.5 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 130.438 3.495 . . . . 0.0 115.252 -175.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -76.63 91.91 3.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 121.281 -0.887 . . . . 0.0 109.172 165.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -53.65 -39.06 64.71 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.049 0.939 . . . . 0.0 111.9 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.88 -70.29 1.02 Allowed Glycine 0 CA--C 1.523 0.58 0 C-N-CA 126.245 1.879 . . . . 0.0 111.734 171.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.9 -43.05 65.91 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.442 1.121 . . . . 0.0 111.136 -177.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.65 -52.94 58.35 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.411 1.084 . . . . 0.0 111.275 174.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.5 ttm -68.77 -38.01 79.74 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.912 -0.492 . . . . 0.0 111.351 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.48 -53.93 51.72 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.598 1.159 . . . . 0.0 108.439 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -53.76 -45.97 70.8 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.531 1.133 . . . . 0.0 110.804 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.45 -65.54 0.61 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.476 0.311 . . . . 0.0 110.231 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 84' ' ' GLU . 1.7 mptm? -54.95 -41.89 71.67 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.599 0.76 . . . . 0.0 110.058 -175.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -50.29 -47.06 55.65 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 127.43 2.292 . . . . 0.0 113.812 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -73.47 -18.31 61.13 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.541 -0.724 . . . . 0.0 111.371 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.97 4.11 8.01 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 125.125 1.345 . . . . 0.0 112.617 -173.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.21 153.04 35.82 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 119.882 1.841 . . . . 0.0 110.513 -173.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.27 156.44 39.11 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.665 171.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 0.7 OUTLIER -48.68 -64.8 0.7 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 129.509 3.124 . . . . 0.0 112.259 173.62 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.6 m -72.14 -24.59 61.48 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 120.929 -1.107 . . . . 0.0 110.094 -174.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -45.82 87.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.633 -0.667 . . . . 0.0 109.45 172.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.59 96.81 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 118.713 -0.66 . . . . 0.0 111.065 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -69.09 -35.23 76.27 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.862 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -58.51 -50.68 72.87 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 125.192 1.397 . . . . 0.0 110.16 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.4 mt -51.33 -51.7 51.99 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 118.333 -0.841 . . . . 0.0 109.449 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.53 -44.03 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-O 117.642 -1.171 . . . . 0.0 110.255 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -59.06 -30.68 68.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 120.613 1.551 . . . . 0.0 112.152 -174.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 40.5 mt -91.04 -43.91 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.872 1.269 . . . . 0.0 110.0 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.2 t -62.37 -54.63 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 119.938 1.244 . . . . 0.0 108.518 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.463 ' CD2' ' HE2' ' A' ' 99' ' ' LYS . 8.7 t-160 -57.83 -39.45 77.68 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.51 1.124 . . . . 0.0 109.157 173.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.49 -16.71 55.56 Favored Glycine 0 C--N 1.341 0.814 0 C-N-CA 126.737 2.113 . . . . 0.0 113.85 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 52.1 m -109.34 -40.12 5.01 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 116.332 -1.794 . . . . 0.0 111.069 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -49.5 -29.09 6.18 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 122.409 2.368 . . . . 0.0 114.622 -170.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.463 ' HE2' ' CD2' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -120.48 -4.89 9.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.274 1.03 . . . . 0.0 112.604 178.054 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.4 t -87.17 -51.27 6.08 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.015 -1.053 . . . . 0.0 108.837 172.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.3 m -57.21 116.41 13.55 Favored Pre-proline 0 N--CA 1.443 -0.798 0 C-N-CA 127.484 2.314 . . . . 0.0 109.527 -175.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.64 129.2 8.18 Favored 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.939 2.426 . . . . 0.0 109.322 174.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.06 177.57 10.66 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.077 1.751 . . . . 0.0 108.765 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.513 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 1.1 m-20 -81.0 -168.48 1.82 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.572 1.149 . . . . 0.0 110.174 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.85 -16.2 57.62 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.441 0.697 . . . . 0.0 111.521 159.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.513 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 9.0 t0 -69.62 96.12 0.92 Allowed 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 121.775 -0.578 . . . . 0.0 110.348 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -52.13 -32.75 36.86 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.263 1.425 . . . . 0.0 111.845 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.0 m -63.84 -52.72 58.84 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.748 1.158 . . . . 0.0 108.894 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 11.2 mm -57.8 -49.19 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.702 1.201 . . . . 0.0 109.59 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -50.18 -65.78 0.5 Allowed 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 126.782 2.033 . . . . 0.0 110.806 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.4 m -59.86 -33.53 71.92 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.893 0.769 . . . . 0.0 112.155 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.73 -52.91 62.29 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.684 1.129 . . . . 0.0 109.225 170.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.18 -45.61 93.82 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.852 0.751 . . . . 0.0 112.115 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.4 t -62.76 -27.5 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 125.265 1.426 . . . . 0.0 110.257 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -77.02 -45.92 25.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 120.615 -1.303 . . . . 0.0 110.365 172.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.6 m -64.03 -33.8 76.56 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.068 1.303 . . . . 0.0 112.782 -173.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.9 p -70.67 -51.1 30.01 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.582 1.083 . . . . 0.0 109.687 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -54.92 -45.93 74.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.819 1.648 . . . . 0.0 110.896 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -45.88 -59.57 2.74 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 126.23 1.812 . . . . 0.0 110.256 172.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.57 -39.15 48.75 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.513 0.597 . . . . 0.0 111.889 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.24 -41.75 96.84 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.302 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 16.1 mm -60.11 -44.66 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 120.527 1.512 . . . . 0.0 110.365 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -59.03 -36.99 75.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.216 0.606 . . . . 0.0 110.588 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -78.0 -46.13 21.88 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.059 0.944 . . . . 0.0 111.254 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.74 -14.72 34.64 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.59 1.556 . . . . 0.0 111.305 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 62.51 42.62 8.53 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.763 1.625 . . . . 0.0 110.761 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -100.5 11.49 39.35 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.366 163.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.266 0 N-CA-C 106.317 -1.735 . . . . 0.0 106.317 151.834 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 119.663 -0.208 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.71 -41.43 73.8 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.746 1.218 . . . . 0.0 112.467 178.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -53.11 -52.28 59.15 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.17 0.986 . . . . 0.0 110.845 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -69.78 -47.8 68.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.148 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 tpt -47.86 -52.98 17.1 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.357 1.463 . . . . 0.0 111.248 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.03 -47.74 77.28 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.716 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -67.88 -35.42 78.48 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.617 1.167 . . . . 0.0 112.457 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.45 -54.98 39.0 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 170.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 t -64.54 1.21 0.86 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.956 1.703 . . . . 0.0 113.089 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 tt -104.29 -53.82 2.65 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.197 1.799 . . . . 0.0 107.855 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -61.13 -36.36 79.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.128 1.371 . . . . 0.0 111.453 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.505 ' HA ' HD11 ' A' ' 59' ' ' LEU . 52.4 t80 -47.51 -49.57 25.65 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.516 1.127 . . . . 0.0 110.937 176.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.29 11.38 63.39 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.974 -0.904 . . . . 0.0 114.588 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -57.04 -41.96 79.62 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 120.019 1.91 . . . . 0.0 112.911 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.59 20.09 12.41 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.09 0.956 . . . . 0.0 112.365 -176.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tp -52.44 -51.61 58.32 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.31 1.044 . . . . 0.0 110.428 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.32 -33.88 76.19 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 118.531 0.605 . . . . 0.0 110.512 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.63 -59.68 5.01 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -51.92 -42.03 62.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.407 1.083 . . . . 0.0 111.522 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -57.72 -61.65 2.37 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 121.05 -1.032 . . . . 0.0 109.701 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -61.21 -41.16 96.37 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.81 0.844 . . . . 0.0 110.479 -173.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -57.24 -50.34 73.2 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.792 2.037 . . . . 0.0 111.815 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.6 mtp -99.51 -4.94 30.15 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.716 0.806 . . . . 0.0 111.715 -169.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 83.2 m 40.17 83.27 0.02 OUTLIER 'General case' 0 C--O 1.24 0.586 0 CA-C-O 123.116 1.436 . . . . 0.0 111.151 -150.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.2 mt -97.36 -175.72 3.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 113.786 -1.552 . . . . 0.0 106.836 154.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.3 p -107.35 176.25 5.22 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 125.984 1.714 . . . . 0.0 109.007 -169.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.33 -9.61 35.35 Favored 'General case' 0 N--CA 1.441 -0.924 0 O-C-N 121.453 -0.78 . . . . 0.0 111.788 162.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.35 71.98 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.792 -0.568 . . . . 0.0 112.18 172.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.7 pt -61.82 -26.92 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-N 119.354 0.979 . . . . 0.0 111.639 170.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -61.46 -31.33 71.29 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -46.03 38.68 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.151 0.98 . . . . 0.0 111.611 174.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CB ' HG21 ' A' ' 48' ' ' THR . 20.2 m-20 -61.13 -17.17 51.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.751 0.82 . . . . 0.0 111.127 176.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -95.79 -47.91 5.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 126.03 1.732 . . . . 0.0 112.345 172.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -61.54 -34.74 76.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.493 1.517 . . . . 0.0 110.908 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -104.76 13.9 30.56 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.761 1.224 . . . . 0.0 111.803 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -55.06 -46.43 75.4 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.823 1.192 . . . . 0.0 110.58 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.41 ' CH2' HG21 ' A' ' 122' ' ' ILE . 49.8 m95 -88.14 44.2 1.18 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.423 1.489 . . . . 0.0 111.397 177.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 175.1 9.99 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 120.571 -1.331 . . . . 0.0 108.002 158.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -99.51 24.86 7.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.2 1.0 . . . . 0.0 113.687 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.47 12.99 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.34 -0.7 . . . . 0.0 114.347 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -75.21 123.74 25.81 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 118.939 1.369 . . . . 0.0 111.491 -170.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -95.41 134.69 37.94 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.256 1.022 . . . . 0.0 111.27 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 55.1 mt -113.07 108.52 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -170.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -130.33 1.51 4.62 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.529 ' HB3' HG23 ' A' ' 48' ' ' THR . 52.2 t-20 -63.95 106.57 1.05 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -55.43 -27.01 45.25 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.147 -0.971 . . . . 0.0 110.518 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -70.04 -26.29 63.97 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.487 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.529 HG23 ' HB3' ' A' ' 45' ' ' ASN . 43.9 p -68.0 -44.44 76.58 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 177.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA3' ' HB2' ' A' ' 112' ' ' LEU . . . -53.69 -37.66 57.36 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 123.422 0.534 . . . . 0.0 112.986 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -39.2 55.18 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.417 0.608 . . . . 0.0 111.113 177.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.06 -49.29 72.0 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 170.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.56 -50.51 73.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 125.544 1.538 . . . . 0.0 109.705 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 19.0 ttp -53.56 -51.25 63.54 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 120.018 1.281 . . . . 0.0 111.583 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.0 t -57.98 -49.62 76.18 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.05 -45.94 89.49 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 117.897 -1.049 . . . . 0.0 110.294 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 m -56.14 -44.14 78.91 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 121.01 1.732 . . . . 0.0 111.766 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.9 m -53.02 -57.86 8.93 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 175.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -67.35 -13.32 61.9 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.032 1.333 . . . . 0.0 113.076 -170.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.505 HD11 ' HA ' ' A' ' 12' ' ' PHE . 13.2 mt -94.22 6.78 47.57 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.171 0.989 . . . . 0.0 110.899 173.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 62.24 37.55 14.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.894 1.678 . . . . 0.0 110.453 -177.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 36.0 mtm -98.64 -7.57 27.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 117.963 -1.018 . . . . 0.0 112.333 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mp -104.38 116.19 31.7 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -174.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.408 ' HB2' ' HD2' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -64.31 -179.45 0.29 Allowed Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 126.477 1.911 . . . . 0.0 110.56 176.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 63' ' ' ASP . 25.4 Cg_endo -69.61 -3.56 12.17 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 121.821 1.681 . . . . 0.0 114.62 -176.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -98.2 -23.04 15.85 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.042 1.337 . . . . 0.0 110.778 173.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.63 13.28 59.83 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 125.675 1.607 . . . . 0.0 112.074 -176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -121.24 58.41 0.97 Allowed 'General case' 0 C--O 1.233 0.204 0 C-N-CA 125.515 1.526 . . . . 0.0 107.502 -167.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 49.57 156.36 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.548 1 C-N-CA 132.48 4.312 . . . . 0.0 116.311 -177.077 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.08 89.6 2.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.412 2.285 . . . . 0.0 105.206 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -61.11 -30.54 70.43 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -173.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.48 -65.89 2.72 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.579 1.085 . . . . 0.0 111.298 166.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -71.38 -22.91 61.82 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.45 81.35 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.77 1.628 . . . . 0.0 111.662 169.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 17.5 ttm -66.01 -37.7 86.59 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 121.767 -0.583 . . . . 0.0 109.661 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -55.33 36.48 Favored 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 173.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -45.45 -48.16 13.81 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 123.869 0.868 . . . . 0.0 110.116 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.5 -68.02 0.3 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.613 0.765 . . . . 0.0 111.357 175.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.1 -38.37 73.27 Favored 'General case' 0 C--N 1.344 0.353 0 O-C-N 121.093 -1.005 . . . . 0.0 111.761 -173.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -47.49 -49.05 26.72 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.553 1.941 . . . . 0.0 110.992 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -78.52 -2.48 38.92 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.38 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.52 3.92 22.07 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.994 1.283 . . . . 0.0 113.188 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.39 146.15 54.93 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 119.631 1.716 . . . . 0.0 111.155 -165.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.55 160.33 16.82 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 122.209 1.004 . . . . 0.0 109.146 174.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -59.99 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.019 1.328 . . . . 0.0 110.413 176.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.7 m -68.69 -31.79 71.13 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 119.025 0.83 . . . . 0.0 110.551 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 9.5 ttt -55.42 -55.14 35.14 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 119.169 0.895 . . . . 0.0 108.979 170.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.04 -30.14 70.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 120.803 -1.186 . . . . 0.0 111.846 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -66.88 -42.12 86.08 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 119.415 1.007 . . . . 0.0 110.551 171.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -57.19 -48.45 78.72 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.666 1.587 . . . . 0.0 110.104 174.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 mp -55.74 -20.4 14.54 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 125.701 1.601 . . . . 0.0 114.949 175.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.0 mp -103.54 -32.35 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-O 116.694 -1.622 . . . . 0.0 111.335 171.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -60.56 -48.24 82.67 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 121.604 2.002 . . . . 0.0 109.348 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.6 mt -67.49 -49.82 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -176.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.2 t -67.52 -49.12 73.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 118.248 0.476 . . . . 0.0 110.516 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -58.15 -41.84 84.64 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.61 18.09 6.08 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 128.91 3.148 . . . . 0.0 114.42 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 67.5 m -131.8 -28.1 1.83 Allowed 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 125.651 1.58 . . . . 0.0 110.229 168.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -56.47 -17.31 7.79 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 121.857 2.117 . . . . 0.0 114.641 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 -43.6 2.23 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.601 -1.312 . . . . 0.0 108.81 173.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 m -55.86 -40.68 73.26 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 127.494 2.317 . . . . 0.0 113.695 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.8 m -69.17 118.03 57.79 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 171.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -77.94 140.37 18.12 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.518 2.145 . . . . 0.0 108.396 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.43 161.56 42.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.25 0.62 . . . . 0.0 109.361 170.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.61 162.91 3.54 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 151.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -62.23 -5.1 2.1 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.035 1.734 . . . . 0.0 113.69 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -68.53 97.12 0.75 Allowed 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -34.77 23.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 127.195 2.198 . . . . 0.0 115.714 -174.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.96 -45.52 85.38 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 119.976 1.262 . . . . 0.0 109.25 173.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.3 mt -63.51 -44.3 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 119.687 1.131 . . . . 0.0 109.926 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -50.68 -65.84 0.49 Allowed 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.2 1.4 . . . . 0.0 111.008 171.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.8 m -62.49 -34.31 76.59 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.156 0.889 . . . . 0.0 111.983 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.451 ' HB2' ' HA3' ' A' ' 49' ' ' GLY . 7.1 tp -53.75 -47.31 70.77 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 120.034 1.288 . . . . 0.0 108.681 169.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.59 -45.42 96.36 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.153 0.883 . . . . 0.0 112.335 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 35.9 t -58.32 -39.46 74.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 118.866 1.333 . . . . 0.0 109.332 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.99 77.28 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.653 -1.279 . . . . 0.0 112.467 173.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.5 m -66.38 -41.33 89.54 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.152 0.887 . . . . 0.0 110.519 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.6 p -58.3 -49.73 76.14 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -65.78 -39.09 90.63 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 127.403 2.281 . . . . 0.0 110.673 -172.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -60.53 2.71 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 124.261 1.024 . . . . 0.0 109.275 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.95 74.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 118.848 -0.596 . . . . 0.0 111.325 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.66 -41.7 74.01 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 117.73 -1.129 . . . . 0.0 111.224 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.41 HG21 ' CH2' ' A' ' 37' ' ' TRP . 4.3 mm -60.49 -47.07 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 121.467 1.94 . . . . 0.0 110.29 177.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -65.38 -14.37 60.71 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 176.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -41.76 11.6 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 120.781 1.628 . . . . 0.0 109.175 172.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.477 HD13 ' CZ3' ' A' ' 127' ' ' TRP . 35.9 mt -68.69 -29.01 67.37 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -174.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 20.6 t30 95.42 27.58 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.32 1 C-N-CA 132.607 4.363 . . . . 0.0 110.511 167.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.477 ' CZ3' HD13 ' A' ' 125' ' ' LEU 0.26 6.6 m0 -91.77 27.97 1.92 Allowed 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -168.373 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-N 119.119 0.872 . . . . 0.0 110.375 178.505 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -60.14 -33.43 72.16 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.965 172.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -58.95 -44.96 91.55 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.971 0.805 . . . . 0.0 110.052 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' A' ' 82' ' ' ALA . 56.1 t -62.13 -50.01 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.81 0.844 . . . . 0.0 109.444 174.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -38.34 86.09 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.944 1.247 . . . . 0.0 110.416 -176.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -57.33 -53.93 52.59 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 124.232 1.013 . . . . 0.0 109.535 169.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -53.54 -46.84 70.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.769 1.628 . . . . 0.0 111.595 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -62.83 -59.71 4.48 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 127.639 2.376 . . . . 0.0 109.055 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 t -60.43 -28.37 68.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.145 1.378 . . . . 0.0 111.674 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -70.27 -55.06 10.17 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 125.433 1.493 . . . . 0.0 107.895 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -66.96 -33.5 75.71 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.202 -175.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.484 ' HA ' HD11 ' A' ' 59' ' ' LEU . 62.5 t80 -55.13 -36.88 66.23 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.513 1.125 . . . . 0.0 110.754 172.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.87 13.88 58.02 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 118.45 -1.195 . . . . 0.0 114.322 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -54.09 43.73 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 120.23 2.015 . . . . 0.0 111.089 -178.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.17 18.38 1.09 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.715 1.206 . . . . 0.0 112.641 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tp -57.96 -54.45 46.82 Favored 'General case' 0 C--O 1.223 -0.318 0 O-C-N 120.779 -1.201 . . . . 0.0 110.966 -174.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.02 -31.28 72.08 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.825 0.739 . . . . 0.0 112.591 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.22 -65.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 169.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.7 m -52.92 -35.69 58.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.915 0.886 . . . . 0.0 112.739 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -59.27 -53.27 60.15 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.422 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -70.58 -32.76 70.28 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.598 1.09 . . . . 0.0 110.8 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -67.98 -34.62 76.89 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.404 1.002 . . . . 0.0 112.805 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.0 mtm -116.97 9.52 13.74 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.738 1.215 . . . . 0.0 112.916 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.8 m 40.89 72.25 0.16 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-O 123.791 1.758 . . . . 0.0 111.254 -169.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.12 168.99 9.23 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 164.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.8 p -105.91 -171.51 1.92 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.626 1.203 . . . . 0.0 110.059 -159.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.5 -11.51 40.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.537 159.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -33.93 76.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 119.472 1.033 . . . . 0.0 109.897 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.5 pt -61.86 -30.93 49.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 CA-C-O 118.44 -0.791 . . . . 0.0 110.587 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -62.15 -33.66 74.92 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 119.107 0.867 . . . . 0.0 108.695 -174.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -44.16 76.52 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.81 2.044 . . . . 0.0 111.264 176.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -58.19 -58.85 6.65 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -58.49 -34.04 70.46 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.236 -0.915 . . . . 0.0 112.226 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -43.36 86.53 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.662 1.185 . . . . 0.0 110.198 175.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -113.14 5.18 16.94 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 123.723 0.809 . . . . 0.0 111.924 -162.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.444 ' CE1' ' HG3' ' A' ' 119' ' ' LYS . 3.6 t80 -49.69 -42.26 45.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.133 1.773 . . . . 0.0 111.484 -178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -90.39 28.5 1.45 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.962 1.305 . . . . 0.0 112.719 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -79.48 174.52 11.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.885 1.274 . . . . 0.0 107.99 172.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.34 109.97 21.77 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 163.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.3 26.37 18.58 Favored Glycine 0 N--CA 1.466 0.688 0 C-N-CA 123.869 0.747 . . . . 0.0 114.463 166.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -87.98 145.08 26.18 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.573 1.149 . . . . 0.0 109.215 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -121.39 135.67 55.04 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-O 122.502 1.144 . . . . 0.0 110.568 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.9 mt -102.44 105.04 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 104.186 -2.524 . . . . 0.0 104.186 178.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -116.9 -8.38 11.31 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 119.214 -0.422 . . . . 0.0 112.048 169.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -48.14 114.17 0.88 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 126.522 1.929 . . . . 0.0 110.808 173.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -64.18 -28.1 69.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.27 -0.893 . . . . 0.0 110.296 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.75 -28.06 63.39 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.299 -176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.2 p -66.3 -44.51 83.28 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-N 120.03 1.286 . . . . 0.0 108.17 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.22 -52.14 23.79 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 124.844 1.211 . . . . 0.0 111.022 174.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -30.81 69.51 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.45 -52.25 66.0 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 120.035 1.289 . . . . 0.0 109.559 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.4 mt -55.29 -45.82 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.306 1.442 . . . . 0.0 108.525 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -58.85 -51.33 70.45 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.929 0.892 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 53.4 t -57.62 -53.87 53.28 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 122.969 0.507 . . . . 0.0 110.365 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 76.9 mt -54.1 -45.25 71.8 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.338 1.055 . . . . 0.0 110.732 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -51.49 -56.83 11.2 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.7 0.8 . . . . 0.0 110.709 174.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -50.36 -54.12 23.96 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.131 0.878 . . . . 0.0 111.0 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -64.02 -21.79 66.65 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.282 1.033 . . . . 0.0 113.308 -170.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 12' ' ' PHE . 21.7 mt -83.33 -2.28 55.32 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.919 0.888 . . . . 0.0 111.765 175.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 72.2 22.04 3.72 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 129.251 3.02 . . . . 0.0 112.226 -165.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.7 mtm -100.03 52.62 0.91 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.531 1.132 . . . . 0.0 110.733 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.5 mt -147.12 142.04 26.94 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 147.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.12 167.1 5.41 Favored Pre-proline 0 C--O 1.242 0.684 0 C-N-CA 126.193 1.797 . . . . 0.0 110.082 172.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.07 11.15 1.24 Allowed 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 124.038 3.159 . . . . 0.0 112.201 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -129.01 -2.51 5.17 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 127.85 2.46 . . . . 0.0 112.381 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.75 1.05 66.04 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 123.982 0.801 . . . . 0.0 114.922 168.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -76.98 170.84 15.78 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.99 0.916 . . . . 0.0 108.749 168.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.6 tp -53.57 155.89 2.84 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 155.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -113.4 106.14 14.23 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 163.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -49.61 -55.49 13.41 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.245 0.618 . . . . 0.0 111.0 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.89 -56.06 6.03 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.369 1.462 . . . . 0.0 113.571 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -70.18 -37.44 75.13 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.945 0.872 . . . . 0.0 111.798 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.77 -47.39 86.52 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.158 0.983 . . . . 0.0 111.404 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -43.24 99.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.27 1.828 . . . . 0.0 110.401 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -57.84 10.81 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 123.716 0.806 . . . . 0.0 109.376 172.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -49.06 -43.86 41.25 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.643 1.177 . . . . 0.0 110.575 -177.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.51 ' HA ' HD11 ' A' ' 8' ' ' LEU . . . -65.0 -59.8 3.75 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 118.551 0.614 . . . . 0.0 112.365 176.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -61.25 -19.99 62.33 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.326 0.966 . . . . 0.0 112.752 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -70.62 -31.09 67.93 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 120.219 -1.551 . . . . 0.0 111.331 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -108.14 13.3 26.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.841 2.056 . . . . 0.0 113.465 -170.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.34 10.87 53.42 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-N 119.854 1.206 . . . . 0.0 114.468 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.416 ' HA ' HG11 ' A' ' 4' ' ' VAL . . . -78.43 129.7 35.23 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 119.413 1.607 . . . . 0.0 112.309 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.61 158.36 6.1 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 122.775 1.274 . . . . 0.0 110.299 166.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -53.88 50.7 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.052 2.141 . . . . 0.0 111.311 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 m -65.94 -39.1 90.19 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.97 -51.98 67.35 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 122.996 0.518 . . . . 0.0 109.732 176.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.24 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 119.091 0.86 . . . . 0.0 112.218 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -65.27 -47.87 75.18 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.369 173.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.05 -44.55 91.83 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.983 1.713 . . . . 0.0 110.594 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.01 -11.44 19.1 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.868 1.267 . . . . 0.0 112.396 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.1 -47.14 11.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-O 117.827 -1.082 . . . . 0.0 111.115 164.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.43 -30.68 71.77 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 120.985 1.72 . . . . 0.0 110.712 -168.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 56.3 mt -75.96 -47.92 30.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 123.834 0.854 . . . . 0.0 108.702 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.18 -63.13 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 125.033 1.333 . . . . 0.0 109.982 -178.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.586 ' CD2' ' HE2' ' A' ' 99' ' ' LYS . 19.1 t-160 -54.92 -46.95 74.97 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.018 1.327 . . . . 0.0 108.375 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.95 -23.32 56.64 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 118.394 -1.226 . . . . 0.0 113.277 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.9 m -95.41 -24.8 16.53 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 119.828 1.814 . . . . 0.0 112.029 171.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.42 -29.91 7.18 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 122.259 2.299 . . . . 0.0 113.293 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.586 ' HE2' ' CD2' ' A' ' 95' ' ' HIS . 0.5 OUTLIER -120.03 -35.45 3.48 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 124.971 1.308 . . . . 0.0 111.51 -175.226 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -34.36 64.1 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.369 1.067 . . . . 0.0 112.099 -178.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.1 m -69.13 121.13 80.75 Favored Pre-proline 0 N--CA 1.45 -0.441 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -74.5 145.85 34.09 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 122.654 2.236 . . . . 0.0 110.271 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.45 -174.33 3.93 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.292 1.437 . . . . 0.0 109.358 -174.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.31 2.6 p30 -112.66 -174.24 2.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 148.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -13.63 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.728 1.211 . . . . 0.0 111.752 178.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -66.17 96.05 0.32 Allowed 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.338 1.455 . . . . 0.0 110.274 171.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -44.71 -35.32 2.61 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.364 1.066 . . . . 0.0 111.969 167.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 34.5 m -61.94 -48.26 81.23 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 119.511 1.051 . . . . 0.0 110.083 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.0 mm -64.15 -45.18 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 125.487 1.515 . . . . 0.0 109.397 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -48.97 -66.94 0.32 Allowed 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.261 1.424 . . . . 0.0 110.471 172.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.0 m -60.98 -29.07 69.45 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.88 -56.23 13.27 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.889 0.876 . . . . 0.0 109.59 169.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.46 -38.31 69.55 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-O 119.236 -0.758 . . . . 0.0 112.533 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.54 -23.67 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 118.717 1.258 . . . . 0.0 108.8 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.4 -49.31 12.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.097 -1.43 . . . . 0.0 111.497 167.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -58.9 -37.97 77.83 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 121.579 1.99 . . . . 0.0 112.458 -171.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 20.2 p -61.05 -61.55 2.5 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -49.94 -46.95 52.65 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 126.327 1.851 . . . . 0.0 111.708 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.444 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 1.9 ttpp -46.07 -57.8 4.15 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 127.413 2.285 . . . . 0.0 110.584 172.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.35 -32.22 72.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.076 0.853 . . . . 0.0 111.912 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.03 -41.22 82.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.674 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.2 mm -56.17 -45.42 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 119.642 1.11 . . . . 0.0 110.098 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -64.17 -28.35 69.69 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.16 0.584 . . . . 0.0 111.935 175.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -40.46 72.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 119.975 -1.703 . . . . 0.0 107.916 174.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.5 mt -75.28 -4.76 40.97 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.556 1.143 . . . . 0.0 111.388 -172.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.3 t30 58.54 23.83 11.26 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.359 2.263 . . . . 0.0 112.201 -171.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 45.1 m0 -86.06 27.46 0.9 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.44 1.896 . . . . 0.0 111.154 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 1 C-N-CA 131.776 4.03 . . . . 0.0 107.002 -164.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 55.8 -67.0 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 127.753 2.421 . . . . 0.0 113.01 -166.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -41.67 -69.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 129.883 3.273 . . . . 0.0 110.674 -167.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.88 -35.24 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.759 -175.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -47.49 85.46 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.21 1.804 . . . . 0.0 111.261 177.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.63 -45.74 85.02 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.052 0.941 . . . . 0.0 109.911 175.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -68.36 -36.77 79.69 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 122.639 0.375 . . . . 0.0 111.792 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.39 -46.49 86.22 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 125.032 1.333 . . . . 0.0 110.323 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -53.14 -44.68 67.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.255 1.422 . . . . 0.0 109.329 170.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.25 -38.51 68.87 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 120.664 -1.272 . . . . 0.0 111.208 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.9 -35.05 62.26 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.424 -174.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.456 ' HA ' HD11 ' A' ' 59' ' ' LEU . 3.5 t80 -56.5 -45.38 81.05 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 168.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.89 10.08 1.73 Allowed Glycine 0 CA--C 1.536 1.355 0 CA-C-O 117.878 -1.512 . . . . 0.0 116.573 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -58.73 7.27 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 121.26 2.53 . . . . 0.0 111.52 -176.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 22.55 0.13 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.182 0.993 . . . . 0.0 113.231 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HA ' HD21 ' A' ' 55' ' ' LEU . 16.0 tp -55.79 -53.36 57.67 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 120.713 1.597 . . . . 0.0 110.973 -171.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.48 -28.2 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 122.058 0.932 . . . . 0.0 111.664 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.06 -58.71 5.85 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.165 170.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.1 m -57.78 -25.56 60.68 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.929 -1.107 . . . . 0.0 112.997 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -64.0 -59.67 4.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 124.214 1.006 . . . . 0.0 108.796 170.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -44.67 85.89 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 119.954 1.252 . . . . 0.0 110.669 -173.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.16 -35.81 17.72 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.507 1.523 . . . . 0.0 112.916 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mtm -119.55 -0.94 10.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.463 1.105 . . . . 0.0 112.721 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.1 m 46.49 82.83 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.821 2.049 . . . . 0.0 111.783 -161.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.0 mt -111.75 138.72 47.95 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.975 0.91 . . . . 0.0 108.93 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 p -75.41 160.22 30.5 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.191 0.996 . . . . 0.0 113.08 -167.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -11.53 60.86 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.158 -0.964 . . . . 0.0 111.969 173.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.28 -30.16 62.11 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.386 171.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 pt -68.8 -29.95 45.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.609 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -61.44 -28.47 69.3 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.01 1.277 . . . . 0.0 108.846 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -45.55 57.44 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 119.218 0.917 . . . . 0.0 109.489 171.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.51 -46.37 90.39 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 119.358 0.981 . . . . 0.0 109.777 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -63.87 -46.29 85.62 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 125.228 1.411 . . . . 0.0 111.54 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -62.24 -52.3 64.3 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.487 1.04 . . . . 0.0 110.368 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 38' ' ' LYS . 81.3 m-20 -74.09 2.36 9.05 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.783 0.833 . . . . 0.0 111.399 -178.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.78 -27.34 68.82 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 119.544 -1.973 . . . . 0.0 111.909 -171.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -94.65 22.61 6.1 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -64.25 -174.92 0.13 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.965 1.306 . . . . 0.0 110.748 168.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.37 54.27 0.89 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.568 2.347 . . . . 0.0 111.388 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.5 17.67 2.34 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.186 1.374 . . . . 0.0 113.378 174.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -62.3 156.72 21.49 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 118.343 1.071 . . . . 0.0 109.888 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -131.24 135.88 47.74 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 125.041 1.336 . . . . 0.0 109.399 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.9 mt -106.93 122.37 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 -170.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -133.12 -26.45 1.7 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 117.746 -1.121 . . . . 0.0 113.332 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -62.23 110.81 1.74 Allowed 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.454 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 2.2 ptm180 -55.81 -24.27 35.13 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.572 1.078 . . . . 0.0 110.768 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.04 -29.36 67.23 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.394 0.677 . . . . 0.0 111.962 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.7 p -71.1 -46.16 62.3 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-N 119.65 1.114 . . . . 0.0 108.73 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.21 -41.53 94.87 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -30.4 65.89 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.991 0.895 . . . . 0.0 112.447 175.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 -53.29 55.93 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.602 1.092 . . . . 0.0 109.887 170.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.9 mt -52.22 -47.78 44.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.274 1.429 . . . . 0.0 108.792 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -59.53 -53.08 62.26 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.566 -0.709 . . . . 0.0 111.526 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.99 -46.78 78.6 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 123.613 0.765 . . . . 0.0 111.092 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' A' ' 16' ' ' LEU . 76.7 mt -55.36 -52.1 64.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.174 0.99 . . . . 0.0 108.666 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.69 -44.9 57.99 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.278 0.631 . . . . 0.0 110.863 176.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.475 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -57.69 -55.76 30.66 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 178.13 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -64.06 -11.78 32.66 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.389 1.476 . . . . 0.0 112.687 -174.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.456 HD11 ' HA ' ' A' ' 12' ' ' PHE . 9.0 mt -96.35 20.95 9.7 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.83 1.252 . . . . 0.0 109.95 175.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' ND2' HD21 ' A' ' 72' ' ' ASN . 45.1 t30 59.39 19.22 7.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.895 2.078 . . . . 0.0 112.35 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -90.0 -17.39 27.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.64 1.109 . . . . 0.0 111.6 -171.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 57' ' ' THR . 1.3 mp -107.09 118.36 36.51 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -172.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 171.56 0.64 Allowed Pre-proline 0 C--N 1.317 -0.822 0 C-N-CA 124.806 1.243 . . . . 0.0 111.25 176.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -83.15 42.32 1.25 Allowed 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 121.786 1.657 . . . . 0.0 111.211 -171.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -145.53 -41.99 0.22 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.06 2.144 . . . . 0.0 107.084 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.43 15.33 1.45 Allowed Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.711 1.624 . . . . 0.0 113.525 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -109.32 151.67 26.29 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 119.202 1.501 . . . . 0.0 109.371 -168.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt -78.13 110.68 13.32 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 121.316 0.579 . . . . 0.0 110.14 -172.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -74.28 82.68 1.87 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.182 0.993 . . . . 0.0 109.075 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -51.34 -35.19 37.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.098 1.359 . . . . 0.0 113.36 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.4 -44.35 85.04 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.568 0.604 . . . . 0.0 112.477 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.411 HD21 ' ND2' ' A' ' 60' ' ' ASN . 23.1 t30 -85.92 -35.3 20.58 Favored 'General case' 0 N--CA 1.458 -0.048 0 C-N-CA 124.124 0.97 . . . . 0.0 111.014 -174.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.69 -43.97 37.52 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.949 1.7 . . . . 0.0 111.586 168.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.8 ttm -65.04 -40.64 95.09 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.815 0.846 . . . . 0.0 111.834 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -61.19 -42.64 98.94 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 118.884 0.766 . . . . 0.0 109.636 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -53.31 -44.94 68.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 118.164 0.438 . . . . 0.0 110.904 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.59 -56.96 10.54 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.498 0.719 . . . . 0.0 110.165 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -25.13 64.23 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.73 -0.606 . . . . 0.0 111.76 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -54.05 -53.82 47.78 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.534 1.134 . . . . 0.0 110.311 170.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -72.6 -20.21 61.34 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.386 -175.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.72 11.19 6.62 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.593 1.092 . . . . 0.0 113.782 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.83 141.82 54.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 119.04 1.42 . . . . 0.0 110.646 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 153.73 16.67 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 174.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -55.51 32.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.773 1.629 . . . . 0.0 109.174 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 m -65.84 -37.69 86.87 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 124.269 1.028 . . . . 0.0 110.163 -177.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.5 ttp -60.63 -50.52 73.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.91 -31.67 73.02 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.008 -1.058 . . . . 0.0 111.975 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -64.03 -45.79 87.29 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.819 170.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -55.01 -50.4 69.13 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.753 1.221 . . . . 0.0 110.068 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.1 mp -45.56 -60.84 1.96 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.724 1.21 . . . . 0.0 110.962 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.78 -29.84 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-O 117.84 -1.076 . . . . 0.0 110.648 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -69.46 -43.26 73.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 121.047 1.749 . . . . 0.0 110.302 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.9 mt -64.02 -50.8 75.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 125.092 1.357 . . . . 0.0 108.055 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.39 -49.73 79.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.429 0.691 . . . . 0.0 110.697 -175.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.13 -32.37 73.73 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.871 0.869 . . . . 0.0 109.84 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.58 -63.08 4.94 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 17.6 m -59.25 -23.56 62.46 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 115.414 -2.231 . . . . 0.0 113.48 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -48.24 -26.69 2.07 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 122.7 2.5 . . . . 0.0 112.349 175.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 -30.14 1.72 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.696 1.198 . . . . 0.0 112.871 176.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -40.37 89.1 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.545 0.611 . . . . 0.0 110.801 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 55.4 m -63.63 117.88 39.16 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -73.95 144.69 34.74 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 121.941 1.76 . . . . 0.0 109.633 165.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -146.91 -174.83 4.59 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.89 0.876 . . . . 0.0 109.859 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.86 168.01 10.91 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 149.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -68.23 3.34 1.71 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.535 1.134 . . . . 0.0 113.877 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.93 94.26 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 162.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -23.92 35.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 O-C-N 120.61 -1.306 . . . . 0.0 113.052 177.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 14.9 m -55.7 -60.81 2.93 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 167.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.7 mm -61.08 -44.33 98.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 125.865 1.666 . . . . 0.0 110.002 -175.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -55.49 -62.25 1.8 Allowed 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.334 1.053 . . . . 0.0 110.952 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.2 m -59.9 -34.27 72.97 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.825 0.739 . . . . 0.0 111.298 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER -50.66 -54.38 23.48 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 119.777 1.171 . . . . 0.0 110.365 169.195 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.55 -46.51 93.62 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.029 -0.873 . . . . 0.0 111.26 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.08 -49.36 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 118.088 0.944 . . . . 0.0 109.011 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.13 -16.36 61.45 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.494 -1.379 . . . . 0.0 112.267 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.8 m -88.41 -38.92 14.67 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.695 1.598 . . . . 0.0 111.326 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 11.1 p -59.5 -47.28 86.14 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.458 ' CE2' HD11 ' A' ' 122' ' ' ILE . 81.1 t80 -59.63 -45.92 90.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 117.123 -1.418 . . . . 0.0 109.906 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -44.17 -55.96 4.43 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.129 1.332 . . . . 0.0 110.886 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.6 -38.98 75.83 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.958 0.345 . . . . 0.0 111.094 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -59.9 -40.1 87.66 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 118.597 0.635 . . . . 0.0 111.017 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.458 HD11 ' CE2' ' A' ' 118' ' ' PHE . 5.5 mm -59.11 -50.91 78.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -175.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -58.21 -45.65 87.26 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.741 0.816 . . . . 0.0 110.951 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -64.25 -31.97 73.38 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.753 -0.592 . . . . 0.0 111.292 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.7 mt -82.24 -3.21 54.68 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.887 2.075 . . . . 0.0 111.68 173.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 63.74 18.77 11.35 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.963 2.505 . . . . 0.0 114.018 -177.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -77.98 34.79 0.2 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.804 2.441 . . . . 0.0 113.652 -173.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.429 1 C-N-CA 131.917 4.087 . . . . 0.0 109.165 -156.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 N--CA 1.465 0.286 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -21.46 57.04 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.681 -0.637 . . . . 0.0 111.954 -164.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.12 -58.78 6.28 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.267 1.427 . . . . 0.0 110.186 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -63.52 -44.23 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 121.463 0.649 . . . . 0.0 110.282 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 5.7 tpt -50.43 -49.58 54.42 Favored 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 124.873 1.269 . . . . 0.0 112.081 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -56.09 -51.39 68.07 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.294 1.406 . . . . 0.0 109.857 176.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -61.77 -32.95 73.26 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.962 1.305 . . . . 0.0 112.496 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -66.18 -45.15 81.89 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.082 0.953 . . . . 0.0 110.228 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -67.99 -26.49 65.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.763 0.711 . . . . 0.0 112.089 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.7 tp -71.72 -51.82 20.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -68.19 -34.18 75.79 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.416 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -56.02 -54.66 42.19 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 122.917 0.487 . . . . 0.0 110.12 170.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.47 4.07 7.38 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-O 117.392 -1.782 . . . . 0.0 115.545 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -52.07 -64.65 0.75 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.521 2.16 . . . . 0.0 110.287 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.474 ' HB1' ' HZ3' ' A' ' 58' ' ' LYS . . . -78.98 18.31 0.64 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.872 1.269 . . . . 0.0 113.282 -174.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.525 ' HA ' HD21 ' A' ' 55' ' ' LEU . 11.3 tp -53.81 -54.98 30.82 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 124.574 1.149 . . . . 0.0 109.223 -176.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -70.46 -32.5 70.08 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -170.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.18 -51.68 68.73 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 170.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.89 -34.71 76.52 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.549 0.34 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -57.29 -62.01 2.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -37.53 87.21 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.756 1.162 . . . . 0.0 110.808 -176.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.24 -30.32 64.53 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.609 1.163 . . . . 0.0 112.76 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mtm -119.07 -0.73 11.05 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.624 1.169 . . . . 0.0 111.655 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.1 m 48.33 73.02 0.23 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.3 1.84 . . . . 0.0 110.937 -165.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.9 mt -105.65 147.91 27.96 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 169.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.3 p -83.68 178.83 7.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.417 1.103 . . . . 0.0 111.232 -164.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -73.27 -34.05 65.59 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-O 116.79 -1.576 . . . . 0.0 110.144 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.52 43.51 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 124.409 1.068 . . . . 0.0 113.198 -166.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.435 HG22 HG22 ' A' ' 48' ' ' THR . 7.3 pt -60.78 -24.84 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 124.456 1.102 . . . . 0.0 111.432 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -50.72 -38.27 46.36 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 119.69 1.132 . . . . 0.0 110.077 170.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -41.04 69.19 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.334 1.054 . . . . 0.0 108.859 -178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.23 -23.37 62.91 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.176 0.991 . . . . 0.0 111.747 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -87.2 -46.84 9.37 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.995 1.718 . . . . 0.0 109.976 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -65.73 -54.31 28.97 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.722 1.609 . . . . 0.0 110.427 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -79.92 0.49 31.13 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 117.675 -1.155 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -46.79 -41.93 16.22 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 120.656 1.571 . . . . 0.0 112.623 -170.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.443 ' CH2' HG21 ' A' ' 122' ' ' ILE . 69.1 m95 -83.19 8.49 13.07 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 -175.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 156.49 23.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 122.94 1.352 . . . . 0.0 110.134 176.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -80.54 24.14 0.48 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 -165.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 166.55 17.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.374 0.987 . . . . 0.0 112.774 -173.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -74.61 128.8 36.44 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 118.613 1.206 . . . . 0.0 109.972 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -101.56 149.87 23.66 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 123.007 1.384 . . . . 0.0 113.558 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.5 mt -121.23 122.72 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 C-N-CA 128.371 2.669 . . . . 0.0 104.202 -166.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -142.17 -23.58 0.68 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.141 1.164 . . . . 0.0 114.141 -171.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.46 117.14 7.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -53.4 -29.42 34.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.466 1.106 . . . . 0.0 110.195 166.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -58.58 -37.56 76.04 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.277 1.431 . . . . 0.0 111.59 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.435 HG22 HG22 ' A' ' 29' ' ' ILE . 11.8 p -74.61 -36.92 62.96 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 120.051 1.296 . . . . 0.0 109.475 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -54.71 -51.96 49.07 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 174.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -31.5 70.23 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 176.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.26 -49.97 72.02 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 120.233 1.378 . . . . 0.0 110.578 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.4 mt -53.1 -50.43 45.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 125.398 1.479 . . . . 0.0 108.277 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.3 ttp -60.35 -44.99 95.04 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.8 t -63.97 -43.37 95.96 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.072 0.549 . . . . 0.0 110.049 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 16' ' ' LEU . 62.9 mt -58.6 -50.81 72.45 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 173.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.8 m -55.0 -42.3 72.32 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.89 1.223 . . . . 0.0 112.0 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.4 m -49.7 -53.58 23.79 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 120.313 1.415 . . . . 0.0 109.483 169.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.474 ' HZ3' ' HB1' ' A' ' 15' ' ' ALA . 3.3 mttp -66.77 -18.03 65.17 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -173.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -93.85 12.09 27.08 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.923 1.692 . . . . 0.0 111.227 170.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 m120 57.66 29.55 17.46 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.905 2.082 . . . . 0.0 111.278 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.3 mtm -79.13 15.04 1.24 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 120.855 -1.153 . . . . 0.0 112.275 -175.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.3 mt -125.44 117.7 24.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 105.345 -2.095 . . . . 0.0 105.345 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.21 -178.81 0.83 Allowed Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 174.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.6 43.74 1.4 Allowed 'Trans proline' 0 CA--C 1.545 1.039 0 C-N-CA 123.975 3.117 . . . . 0.0 111.622 -176.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -146.94 -28.16 0.39 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 128.02 2.528 . . . . 0.0 109.83 -172.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.76 27.49 62.78 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-O 118.875 -0.959 . . . . 0.0 113.218 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -131.28 53.58 1.98 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.894 2.077 . . . . 0.0 107.757 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 tt 55.9 145.36 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 1 C-N-CA 132.178 4.191 . . . . 0.0 115.285 -175.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -91.1 93.79 9.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 173.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -53.35 -35.75 60.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.454 1.102 . . . . 0.0 111.601 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.8 -80.98 0.07 OUTLIER Glycine 0 CA--C 1.525 0.693 0 C-N-CA 126.805 2.145 . . . . 0.0 112.797 166.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.37 -23.23 62.38 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.043 1.421 . . . . 0.0 113.077 -171.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.74 -57.6 10.38 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.547 1.539 . . . . 0.0 110.685 168.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.8 ttm -62.92 -42.82 99.92 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.169 0.988 . . . . 0.0 111.449 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.52 -48.17 82.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -175.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -51.65 -44.17 62.91 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 122.848 0.459 . . . . 0.0 111.009 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.37 -66.06 0.59 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.787 0.835 . . . . 0.0 110.287 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -39.42 72.17 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.149 0.58 . . . . 0.0 110.381 -176.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -50.94 -45.56 60.69 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 126.08 1.752 . . . . 0.0 112.472 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -81.53 -2.71 50.88 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 117.888 -1.053 . . . . 0.0 112.989 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.76 9.32 21.15 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-N 119.429 1.013 . . . . 0.0 113.957 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.51 148.31 49.03 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.475 1.638 . . . . 0.0 111.124 -173.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.61 158.82 34.94 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 172.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.62 -55.0 40.75 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.578 1.551 . . . . 0.0 110.085 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.0 m -59.95 -43.47 94.98 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 123.294 0.638 . . . . 0.0 109.478 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.8 ttt -56.96 -52.14 66.38 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.046 0.938 . . . . 0.0 110.209 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.77 94.27 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 118.791 -0.623 . . . . 0.0 110.123 -176.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -68.19 -33.6 74.74 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.263 175.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.92 -53.54 56.69 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.124 1.37 . . . . 0.0 110.126 175.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.478 HD11 ' HZ3' ' A' ' 127' ' ' TRP . 0.0 OUTLIER -48.45 -49.93 33.35 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.026 0.83 . . . . 0.0 111.174 176.548 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mp -73.93 -33.62 37.22 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 CA-C-O 117.162 -1.399 . . . . 0.0 110.76 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.09 -40.85 97.13 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 122.855 2.57 . . . . 0.0 112.2 178.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.2 mt -74.61 -47.68 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 124.16 0.984 . . . . 0.0 108.345 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.6 t -61.08 -56.14 19.93 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 123.544 0.738 . . . . 0.0 109.726 177.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -59.39 -30.23 68.28 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.145 0.978 . . . . 0.0 110.795 -175.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.92 -66.33 2.47 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 171.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 6.8 m -45.42 -36.08 4.1 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 116.42 -1.752 . . . . 0.0 111.713 177.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -47.91 -28.04 2.47 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 122.36 2.345 . . . . 0.0 114.665 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.67 -30.65 2.52 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 124.902 1.281 . . . . 0.0 113.051 176.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.4 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . 42.5 m -52.05 -44.02 64.05 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.465 1.106 . . . . 0.0 110.703 167.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.9 m -76.34 124.34 88.07 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 123.294 0.638 . . . . 0.0 110.143 173.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.8 141.02 18.95 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.503 2.802 . . . . 0.0 109.914 166.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.77 166.99 31.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.301 1.441 . . . . 0.0 109.156 171.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.544 HD21 HG21 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -70.93 169.71 14.25 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 159.077 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -66.29 -6.76 15.1 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.492 1.117 . . . . 0.0 113.613 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.41 93.46 0.07 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 172.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.68 -32.66 1.57 Allowed 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 127.72 2.408 . . . . 0.0 113.69 169.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 61.0 m -61.02 -53.82 52.49 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.27 1.395 . . . . 0.0 109.018 171.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.544 HG21 HD21 ' A' ' 104' ' ' ASN . 7.4 mm -61.33 -51.45 72.9 Favored 'Isoleucine or valine' 0 C--N 1.34 0.152 0 C-N-CA 125.191 1.396 . . . . 0.0 109.125 -175.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -50.75 -57.9 7.21 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 126.132 1.773 . . . . 0.0 111.238 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.0 m -63.25 -32.72 74.2 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.056 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -56.21 22.99 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.304 1.442 . . . . 0.0 109.517 167.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.84 -40.71 99.19 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-O 119.265 -0.742 . . . . 0.0 112.231 -175.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 75.0 t -59.69 -47.47 91.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 125.158 1.383 . . . . 0.0 108.718 175.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.19 98.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 121.38 -0.825 . . . . 0.0 111.059 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.4 m -70.44 -35.71 73.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.236 -0.888 . . . . 0.0 112.267 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 7.2 p -67.36 -43.95 80.22 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.872 1.669 . . . . 0.0 109.251 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -57.56 -46.49 83.88 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.015 1.326 . . . . 0.0 111.644 176.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -41.48 -59.26 1.64 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.377 1.471 . . . . 0.0 109.802 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.12 -40.49 64.24 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.609 0.764 . . . . 0.0 112.075 -172.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -59.02 -43.11 91.52 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 126.036 1.734 . . . . 0.0 110.945 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.443 HG21 ' CH2' ' A' ' 37' ' ' TRP . 16.3 mm -61.84 -40.59 87.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 123.354 0.662 . . . . 0.0 109.484 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -61.95 -42.85 99.59 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.066 -0.396 . . . . 0.0 110.864 171.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -60.43 -38.53 84.39 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.72 -1.237 . . . . 0.0 111.01 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.5 mt -73.15 -11.63 60.6 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.033 1.333 . . . . 0.0 111.334 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 59.5 t30 72.12 20.22 4.32 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.649 2.38 . . . . 0.0 112.641 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.478 ' HZ3' HD11 ' A' ' 90' ' ' LEU . 42.5 m0 -84.26 16.09 3.21 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.337 1.855 . . . . 0.0 112.206 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.844 0 C-N-CA 126.933 2.093 . . . . 0.0 109.074 -178.529 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -46.39 -48.01 18.69 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 127.778 2.431 . . . . 0.0 112.666 173.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.71 -57.69 7.7 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.328 1.051 . . . . 0.0 111.415 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 p -69.98 -38.15 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 124.0 0.92 . . . . 0.0 111.647 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -44.9 67.33 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.543 0.737 . . . . 0.0 111.034 173.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -62.18 -47.51 84.17 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 124.782 1.233 . . . . 0.0 109.783 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -62.75 -36.46 83.11 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.12 0.968 . . . . 0.0 111.585 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 82' ' ' ALA . 13.0 mt -66.85 -50.64 61.88 Favored 'General case' 0 CA--C 1.517 -0.305 0 C-N-CA 126.22 1.808 . . . . 0.0 109.867 175.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -57.27 -35.89 70.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.533 1.133 . . . . 0.0 109.988 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.3 tp -69.04 -53.23 21.54 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.806 1.243 . . . . 0.0 108.656 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -66.43 -36.4 82.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.85 -173.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.41 -50.11 74.88 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.984 0.914 . . . . 0.0 108.858 172.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.09 22.36 2.45 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.956 1.265 . . . . 0.0 114.892 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -65.69 -63.02 1.19 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 120.037 1.919 . . . . 0.0 111.468 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.61 26.42 0.05 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.699 1.6 . . . . 0.0 113.767 -174.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -55.14 -54.02 48.58 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 124.759 1.224 . . . . 0.0 111.015 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 20' ' ' LYS . 36.5 t70 -63.26 -39.04 93.47 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.989 0.813 . . . . 0.0 111.97 -176.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.7 -55.16 38.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 175.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.9 m -57.51 -38.31 74.41 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.132 0.973 . . . . 0.0 113.002 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 4.5 mtpt -56.26 -50.31 71.7 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.655 1.182 . . . . 0.0 109.81 176.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -73.43 -40.01 64.56 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.622 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.4 -34.49 66.78 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.063 1.745 . . . . 0.0 111.651 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.0 mtm -122.95 -6.57 8.44 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.597 -172.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m 60.91 85.33 0.12 Allowed 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.083 1.753 . . . . 0.0 110.465 -168.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -123.27 142.06 51.33 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -82.59 -176.57 6.32 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.547 0.612 . . . . 0.0 110.876 -171.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -9.25 57.37 Favored 'General case' 0 CA--C 1.518 -0.287 0 O-C-N 119.934 -1.729 . . . . 0.0 112.706 176.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -27.92 69.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.486 0.314 . . . . 0.0 111.047 175.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.5 pt -65.3 -27.95 43.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 121.081 -1.012 . . . . 0.0 111.573 170.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -69.87 -40.09 75.92 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.748 1.219 . . . . 0.0 108.063 -176.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.41 -44.52 92.83 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.164 1.386 . . . . 0.0 110.237 169.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -55.85 24.9 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -60.96 -35.21 76.17 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.157 0.983 . . . . 0.0 111.677 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -63.33 -53.41 53.07 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.571 0.749 . . . . 0.0 109.944 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -69.5 -36.49 76.52 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 115.856 -2.021 . . . . 0.0 110.481 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -24.72 -51.35 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.35 1 C-N-CA 131.899 4.08 . . . . 0.0 114.382 -156.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.5 ' CH2' HG21 ' A' ' 122' ' ' ILE . 50.1 m95 -66.72 26.09 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.499 1.52 . . . . 0.0 113.652 171.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -86.77 146.35 26.28 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-O 122.775 1.274 . . . . 0.0 108.85 -176.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.32 102.93 0.1 Allowed 'General case' 0 N--CA 1.433 -1.307 0 C-N-CA 127.482 2.313 . . . . 0.0 107.43 158.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.58 -16.46 49.69 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 117.937 -1.48 . . . . 0.0 116.784 162.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -52.57 145.55 11.54 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 120.147 1.974 . . . . 0.0 109.961 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -111.11 142.47 43.24 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 123.431 1.586 . . . . 0.0 113.617 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.452 HG22 ' CD1' ' A' ' 112' ' ' LEU . 38.6 mt -121.89 103.86 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 C-N-CA 128.282 2.633 . . . . 0.0 105.049 -170.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -130.99 -10.89 3.79 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.327 0.651 . . . . 0.0 111.842 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.17 107.75 1.66 Allowed 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.613 1.565 . . . . 0.0 110.463 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -54.27 -25.39 23.23 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 121.146 -0.971 . . . . 0.0 112.733 173.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.98 -28.47 67.47 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.997 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.5 p -68.24 -41.11 81.67 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.958 1.254 . . . . 0.0 108.152 171.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.7 -51.73 53.1 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.167 1.365 . . . . 0.0 112.172 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -31.02 70.97 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.698 -0.884 . . . . 0.0 112.023 175.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.31 -52.19 66.69 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 119.22 0.918 . . . . 0.0 109.928 171.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.2 mt -51.15 -50.59 25.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 125.738 1.615 . . . . 0.0 108.892 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -43.07 91.62 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.231 0.468 . . . . 0.0 111.304 -177.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.2 -45.92 91.22 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.83 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.6 mt -54.86 -52.02 64.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.684 1.129 . . . . 0.0 108.946 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.4 m -50.42 -56.55 10.97 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.895 0.878 . . . . 0.0 111.911 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -44.4 90.81 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.681 1.128 . . . . 0.0 110.766 -177.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -64.6 -8.62 14.88 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.45 1.5 . . . . 0.0 113.314 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.4 mt -112.59 17.59 19.06 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.581 1.552 . . . . 0.0 110.24 175.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.458 HD22 ' ND2' ' A' ' 72' ' ' ASN . 9.2 t30 53.18 49.43 19.96 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 127.712 2.405 . . . . 0.0 111.304 -173.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.0 mtm -110.25 3.57 20.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 117.772 -1.108 . . . . 0.0 113.35 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.0 mt -108.43 112.37 24.75 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 170.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.9 175.96 0.5 Allowed Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 125.941 1.696 . . . . 0.0 110.895 177.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -53.57 -25.44 32.89 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.956 2.437 . . . . 0.0 115.481 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.479 ' HB2' HD22 ' A' ' 67' ' ' ASN . 5.1 mm-40 -86.81 -25.41 24.6 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.591 1.087 . . . . 0.0 108.85 -178.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.99 32.03 15.72 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 126.874 2.178 . . . . 0.0 111.327 -169.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.479 HD22 ' HB2' ' A' ' 65' ' ' GLU . 24.6 m-80 -95.26 169.79 9.84 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.057 1.343 . . . . 0.0 107.44 161.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tt -76.21 125.91 30.02 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 121.665 -0.647 . . . . 0.0 109.579 -177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -79.28 91.0 4.97 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.855 0.862 . . . . 0.0 109.813 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -59.57 -36.67 76.67 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -174.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.01 -60.35 8.18 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 174.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.458 ' ND2' HD22 ' A' ' 60' ' ' ASN . 3.8 m120 -58.99 -37.79 77.64 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.098 0.959 . . . . 0.0 111.454 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.25 -54.45 44.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.959 1.304 . . . . 0.0 110.731 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.6 ttm -61.33 -39.47 90.66 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.636 1.175 . . . . 0.0 111.758 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -56.59 -35.71 68.54 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.842 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.97 -36.23 81.72 Favored 'General case' 0 CA--C 1.523 -0.075 0 C-N-CA 123.812 0.845 . . . . 0.0 109.89 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.07 -56.08 17.54 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.66 9.9 0.58 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.116 1.367 . . . . 0.0 112.94 171.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -93.21 -26.74 17.24 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.375 -1.453 . . . . 0.0 111.098 168.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -105.35 -9.33 17.66 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.283 1.433 . . . . 0.0 112.788 -175.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.53 20.93 33.19 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-O 118.879 -0.956 . . . . 0.0 113.527 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB2' HD11 ' A' ' 8' ' ' LEU . . . -61.63 153.27 28.42 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 119.56 1.68 . . . . 0.0 108.194 170.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.63 164.0 25.01 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 176.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -74.77 -45.65 42.31 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.207 -0.933 . . . . 0.0 110.062 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.0 m -60.85 -40.16 91.84 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.603 0.638 . . . . 0.0 110.296 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.0 ttt -57.74 -51.35 69.92 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.23 -32.03 72.8 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.509 HE22 ' HB2' ' A' ' 92' ' ' ASP . 5.2 tm0? -59.9 -56.88 16.24 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 172.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -54.56 -44.94 73.37 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 125.267 1.427 . . . . 0.0 111.771 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.59 -13.53 22.63 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 117.555 -1.212 . . . . 0.0 112.618 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -102.17 -42.91 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-O 116.332 -1.794 . . . . 0.0 111.305 165.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.509 ' HB2' HE22 ' A' ' 88' ' ' GLN . 10.5 t70 -53.48 -48.53 68.83 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 121.666 2.03 . . . . 0.0 110.291 -177.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.39 -45.89 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 O-C-N 124.939 1.399 . . . . 0.0 108.323 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 79.5 t -67.81 -55.54 16.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 C-N-CA 125.519 1.528 . . . . 0.0 110.187 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -55.31 -41.4 72.34 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.72 1.208 . . . . 0.0 108.824 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -74.99 7.32 22.35 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 128.634 3.016 . . . . 0.0 113.912 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.6 m -120.93 -30.47 4.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.936 1.695 . . . . 0.0 110.59 165.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.87 -28.41 6.49 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 121.962 2.164 . . . . 0.0 113.975 -176.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.1 -47.93 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 m -51.76 -39.07 57.9 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 127.604 2.362 . . . . 0.0 114.295 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.4 m -74.17 114.78 36.5 Favored Pre-proline 0 N--CA 1.445 -0.701 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.13 129.06 16.58 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 122.071 1.847 . . . . 0.0 108.124 174.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -156.27 164.53 38.21 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.334 1.454 . . . . 0.0 108.786 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.432 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 77.3 m-20 -64.23 179.85 0.52 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.745 1.618 . . . . 0.0 113.344 177.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.85 -38.54 2.2 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 128.143 2.577 . . . . 0.0 112.576 147.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.432 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 48.8 t0 -66.82 90.24 0.17 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 124.401 1.08 . . . . 0.0 109.925 -167.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.505 ' HD3' ' CE3' ' A' ' 110' ' ' TRP . 9.5 mmtp -56.69 -20.73 23.21 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.525 -1.359 . . . . 0.0 112.844 -173.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 59.0 m -61.36 -56.04 24.77 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.87 0.759 . . . . 0.0 110.53 167.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.7 mm -56.17 -51.48 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.175 1.39 . . . . 0.0 108.576 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.505 ' CE3' ' HD3' ' A' ' 107' ' ' LYS . 33.0 t90 -52.43 -56.26 16.24 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 125.762 1.625 . . . . 0.0 111.598 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.7 m -66.05 -34.88 79.09 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.811 0.732 . . . . 0.0 111.595 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.452 ' CD1' HG22 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -52.27 -52.92 49.99 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 167.631 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.93 -38.89 93.16 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-O 118.333 -1.26 . . . . 0.0 113.23 -171.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.08 -42.9 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 124.61 1.164 . . . . 0.0 108.758 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.11 79.3 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.925 175.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 56.0 m -64.63 -46.17 83.68 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 121.11 1.777 . . . . 0.0 112.676 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 3.8 p -63.32 -52.18 62.93 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 118.638 0.654 . . . . 0.0 109.586 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.403 ' CE1' HD11 ' A' ' 122' ' ' ILE . 50.4 t80 -50.34 -49.51 53.75 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.776 1.23 . . . . 0.0 110.991 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -51.12 -52.85 39.87 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.168 0.987 . . . . 0.0 110.954 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.68 -41.05 55.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.191 0.45 . . . . 0.0 111.213 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.1 -41.18 95.21 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 117.867 -1.063 . . . . 0.0 110.946 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.5 HG21 ' CH2' ' A' ' 37' ' ' TRP . 11.9 mm -59.01 -45.95 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 120.316 1.416 . . . . 0.0 109.573 177.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -59.35 -49.54 77.43 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 119.106 -0.473 . . . . 0.0 110.921 174.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -55.32 -44.55 75.95 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.553 1.07 . . . . 0.0 110.874 174.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 27.7 mt -64.96 -7.67 12.59 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 126.893 2.077 . . . . 0.0 112.009 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.5 t30 56.09 37.75 29.17 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.94 1.696 . . . . 0.0 111.045 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -92.89 13.53 20.22 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.728 2.411 . . . . 0.0 112.177 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.321 0 C-N-CA 131.452 3.901 . . . . 0.0 108.006 -158.478 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.91 -39.74 82.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 120.116 1.325 . . . . 0.0 112.259 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -52.96 -47.83 67.83 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.788 1.235 . . . . 0.0 110.077 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.442 HG12 ' CD1' ' A' ' 8' ' ' LEU . 55.2 t -65.33 -53.42 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 124.522 1.129 . . . . 0.0 109.334 174.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.3 tpt -56.56 -37.2 70.22 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 119.839 -1.788 . . . . 0.0 111.389 -173.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -36.77 72.31 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.357 175.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -57.62 -36.87 72.38 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.422 1.089 . . . . 0.0 112.032 169.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.442 ' CD1' HG12 ' A' ' 4' ' ' VAL . 4.9 mp -64.19 -49.3 72.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -31.58 70.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.49 1.116 . . . . 0.0 111.055 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 tp -67.24 -37.2 83.16 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.873 1.269 . . . . 0.0 109.068 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -95.29 -28.36 15.03 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.011 -170.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.44 -52.39 65.41 Favored 'General case' 0 N--CA 1.442 -0.846 0 O-C-N 121.807 -0.558 . . . . 0.0 109.547 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.48 21.49 17.53 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 117.542 -1.699 . . . . 0.0 114.469 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -49.0 -51.66 29.38 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 121.134 2.467 . . . . 0.0 110.494 173.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.33 16.43 2.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.977 1.311 . . . . 0.0 112.855 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -56.25 13.86 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 119.952 1.251 . . . . 0.0 110.373 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -25.64 59.45 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 118.95 -1.1 . . . . 0.0 109.889 -169.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.82 -59.29 5.36 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 172.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.68 -23.08 39.4 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.547 1.539 . . . . 0.0 112.814 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HG3' HD11 ' A' ' 29' ' ' ILE . 10.8 mtpp -66.6 -60.08 3.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 121.208 -0.932 . . . . 0.0 109.897 168.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -64.27 -32.81 74.55 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.311 0.959 . . . . 0.0 111.553 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.11 -30.4 59.64 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 124.897 1.279 . . . . 0.0 113.688 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.7 mtm -126.96 1.42 6.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.476 1.11 . . . . 0.0 113.103 -170.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.4 m 43.18 83.97 0.02 OUTLIER 'General case' 0 C--O 1.242 0.671 0 C-N-CA 125.733 1.613 . . . . 0.0 111.414 -157.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.4 mt -112.7 151.91 29.67 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.176 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.7 p -81.08 173.91 12.11 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.593 1.557 . . . . 0.0 111.645 -168.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -92.17 -6.28 50.99 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.38 -1.45 . . . . 0.0 111.315 172.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.69 -26.55 65.67 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.759 0.824 . . . . 0.0 111.513 165.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.587 ' HB ' HG22 ' A' ' 48' ' ' THR . 2.5 pt -75.83 -32.48 23.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 CA-C-N 119.01 0.823 . . . . 0.0 110.741 173.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -35.82 63.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.238 166.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.72 -11.69 60.23 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 174.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -78.6 -72.13 0.39 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.771 1.229 . . . . 0.0 108.007 162.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -44.44 -44.19 8.27 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.029 1.732 . . . . 0.0 112.555 -173.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -58.05 -54.41 47.24 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.123 1.769 . . . . 0.0 112.337 175.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -94.21 8.67 40.89 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.993 2.117 . . . . 0.0 112.135 -172.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -54.06 -29.4 43.96 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.208 1.403 . . . . 0.0 112.105 -173.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -106.2 24.85 11.8 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.173 2.189 . . . . 0.0 114.455 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -65.98 162.47 19.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 120.502 -1.374 . . . . 0.0 110.467 168.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.2 24.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.984 2.514 . . . . 0.0 116.946 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 169.01 15.17 0.02 OUTLIER Glycine 0 N--CA 1.464 0.516 0 O-C-N 121.01 -1.056 . . . . 0.0 113.612 173.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -71.35 126.83 30.67 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 117.301 0.55 . . . . 0.0 111.891 -170.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -101.11 158.04 16.32 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.139 0.976 . . . . 0.0 112.633 163.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.419 HG22 ' CD1' ' A' ' 112' ' ' LEU . 47.4 mt -129.12 110.47 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 129.037 2.935 . . . . 0.0 105.872 -157.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 11.7 mmpt? -122.89 -18.36 6.49 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -171.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.468 ' HB2' HG23 ' A' ' 48' ' ' THR . 7.3 m120 -78.38 110.75 13.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 120.402 1.455 . . . . 0.0 109.507 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -21.79 47.95 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 120.452 -1.405 . . . . 0.0 112.121 169.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -57.43 -33.07 67.53 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.023 172.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.587 HG22 ' HB ' ' A' ' 29' ' ' ILE . 6.2 p -70.96 -42.0 70.32 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 120.459 1.481 . . . . 0.0 109.08 177.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.8 -50.23 32.5 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.267 1.413 . . . . 0.0 111.282 171.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -30.62 67.07 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 118.123 -0.941 . . . . 0.0 113.396 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.58 -52.73 64.21 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 120.329 1.422 . . . . 0.0 108.753 167.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.425 HD13 ' HB2' ' A' ' 115' ' ' ALA . 41.8 mt -50.02 -45.36 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-N 119.624 1.102 . . . . 0.0 109.936 -176.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.1 ttp -61.63 -48.79 79.28 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.729 0.695 . . . . 0.0 111.639 174.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.9 t -56.01 -57.21 13.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.446 1.098 . . . . 0.0 112.167 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -49.58 -46.73 49.39 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.181 1.392 . . . . 0.0 111.817 172.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.1 m -53.11 -53.34 51.85 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.008 0.822 . . . . 0.0 111.222 174.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -50.1 -52.66 33.06 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.178 0.899 . . . . 0.0 110.771 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -63.93 -14.62 55.08 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -171.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -104.39 10.03 35.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 119.232 0.923 . . . . 0.0 111.583 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t30 58.47 36.36 25.27 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.922 1.689 . . . . 0.0 110.338 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 34.3 mtp -89.33 -6.44 56.69 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.789 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 mt -103.72 142.43 34.36 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 171.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -83.58 -177.98 1.08 Allowed Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 126.137 1.775 . . . . 0.0 110.698 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -83.62 41.87 1.14 Allowed 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 121.28 1.32 . . . . 0.0 111.247 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -150.67 -31.93 0.18 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.303 2.241 . . . . 0.0 108.919 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.68 -0.99 8.0 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 126.469 1.985 . . . . 0.0 113.117 173.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -77.09 165.43 24.6 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.204 1.502 . . . . 0.0 109.428 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.0 tp -57.87 123.5 15.99 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 166.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -84.51 92.74 8.17 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.739 1.216 . . . . 0.0 109.658 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -50.42 -34.59 25.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -172.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.17 -72.25 0.67 Allowed Glycine 0 C--N 1.339 0.7 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -45.82 -41.69 11.35 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 125.077 1.351 . . . . 0.0 113.711 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.15 -50.37 61.88 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.454 0.702 . . . . 0.0 110.738 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 16.5 ttm -74.5 -30.82 61.96 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.925 1.29 . . . . 0.0 112.166 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -58.12 -52.16 66.7 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 173.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -49.17 -46.48 45.48 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 126.747 2.019 . . . . 0.0 109.136 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HB1' ' HB2' ' A' ' 87' ' ' ALA . . . -60.25 -65.15 0.73 Allowed 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 122.757 0.423 . . . . 0.0 110.427 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -56.44 -38.24 71.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.212 1.005 . . . . 0.0 109.736 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -53.71 -57.85 9.32 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 127.0 2.12 . . . . 0.0 111.789 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -74.35 -3.56 31.09 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.681 -0.676 . . . . 0.0 112.153 -171.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.06 4.62 12.31 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 127.025 2.25 . . . . 0.0 113.229 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.9 156.55 34.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 119.58 1.69 . . . . 0.0 112.056 -167.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.77 162.41 18.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 113.32 -1.764 . . . . 0.0 108.137 -176.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.4 -59.24 5.57 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.238 1.815 . . . . 0.0 111.268 -175.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.4 m -69.55 -30.97 68.9 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.691 -0.631 . . . . 0.0 110.489 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.425 ' O ' HD22 ' A' ' 90' ' ' LEU . 8.1 ttt -55.7 -59.49 4.78 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 170.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.409 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . . . -61.73 -33.17 73.56 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.085 -174.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -62.7 -46.9 85.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.872 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -49.62 -60.29 3.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.343 174.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.425 HD22 ' O ' ' A' ' 86' ' ' MET . 2.9 mm? -50.94 -47.09 61.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 120.026 1.285 . . . . 0.0 112.998 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.19 -39.11 80.68 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 118.744 -1.182 . . . . 0.0 109.713 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -60.31 -43.75 96.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 120.345 1.429 . . . . 0.0 110.693 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.422 HG21 ' HG2' ' A' ' 121' ' ' GLU . 3.3 mt -70.61 -47.58 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 118.625 0.648 . . . . 0.0 109.74 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.7 t -59.85 -60.79 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -56.53 -33.7 66.32 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.401 1.08 . . . . 0.0 109.357 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.42 -67.65 2.02 Favored Glycine 0 C--N 1.338 0.689 0 C-N-CA 126.353 1.93 . . . . 0.0 111.375 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.8 m -48.88 -36.16 16.42 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.024 1.729 . . . . 0.0 110.376 175.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.58 -13.0 2.05 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 121.643 2.02 . . . . 0.0 113.424 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.93 -43.04 2.36 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.293 1.406 . . . . 0.0 111.711 166.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 m -53.25 -38.25 62.82 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.958 1.303 . . . . 0.0 112.29 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -75.11 120.4 81.45 Favored Pre-proline 0 N--CA 1.447 -0.578 0 CA-C-N 118.577 0.626 . . . . 0.0 109.477 174.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -81.17 145.75 15.48 Favored 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 122.957 2.438 . . . . 0.0 108.879 170.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.07 164.3 38.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.755 0.822 . . . . 0.0 109.113 168.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.9 169.92 1.74 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.729 151.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -57.65 -9.32 1.13 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.232 2.213 . . . . 0.0 113.343 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.59 94.98 0.07 Allowed 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.957 -1.089 . . . . 0.0 108.155 173.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.542 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -54.75 -29.84 54.88 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.998 -1.064 . . . . 0.0 110.955 178.274 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.47 -57.02 13.83 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.18 -50.37 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.931 1.292 . . . . 0.0 109.188 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.542 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 35.9 t90 -51.5 -61.47 2.22 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 125.687 1.595 . . . . 0.0 111.083 178.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 m -62.58 -34.47 77.04 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.154 0.582 . . . . 0.0 111.503 -175.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.419 ' CD1' HG22 ' A' ' 43' ' ' ILE . 1.1 tp -57.89 -51.92 67.63 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.209 1.404 . . . . 0.0 109.351 169.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.36 -41.3 98.41 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.08 -0.844 . . . . 0.0 111.25 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.32 -51.42 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 124.094 0.958 . . . . 0.0 108.836 174.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -61.93 -31.24 71.55 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 118.813 -0.613 . . . . 0.0 111.406 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.4 m -68.88 -48.5 63.24 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.499 1.045 . . . . 0.0 111.378 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.9 p -67.33 -42.46 83.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.878 0.763 . . . . 0.0 110.515 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -58.41 -55.44 34.94 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.825 1.25 . . . . 0.0 110.729 176.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -43.15 -58.74 2.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.579 1.551 . . . . 0.0 109.634 175.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.53 -21.91 29.43 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -175.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.422 ' HG2' HG21 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -75.79 -44.99 38.6 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.168 1.387 . . . . 0.0 109.518 178.423 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 26.1 mm -59.02 -37.38 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 125.98 1.712 . . . . 0.0 108.08 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -59.6 -50.83 72.35 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.8 1.24 . . . . 0.0 112.64 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -48.83 -54.97 13.02 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 121.154 1.797 . . . . 0.0 110.826 172.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.91 -3.05 14.23 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.692 1.197 . . . . 0.0 113.397 -176.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.0 t30 56.95 22.81 7.57 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.877 2.071 . . . . 0.0 112.868 -178.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 50.8 m0 -73.25 12.0 0.65 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.161 1.385 . . . . 0.0 111.882 172.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.582 1.953 . . . . 0.0 107.052 176.229 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -66.18 -34.5 78.16 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-O 117.682 -1.151 . . . . 0.0 112.411 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -49.4 -50.35 40.79 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.001 1.381 . . . . 0.0 109.807 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.28 -39.02 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.533 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -46.42 74.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.926 0.89 . . . . 0.0 109.986 176.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -60.96 -46.3 91.25 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 117.706 -1.14 . . . . 0.0 110.966 175.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -66.27 -33.81 76.59 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.684 1.129 . . . . 0.0 112.607 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.82 -52.94 62.13 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 173.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -65.34 -0.35 1.8 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.167 1.387 . . . . 0.0 112.718 175.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.6 tp -101.27 -57.54 2.07 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.776 1.23 . . . . 0.0 109.037 174.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -63.94 -27.79 69.38 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.341 1.456 . . . . 0.0 112.294 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -57.56 -52.94 63.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 168.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.97 27.12 2.71 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.649 1.595 . . . . 0.0 114.201 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -67.02 -65.27 0.7 Allowed 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 119.637 1.719 . . . . 0.0 110.452 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.61 44.92 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.14 0.976 . . . . 0.0 110.939 -175.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -69.53 -55.57 9.81 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.042 -1.037 . . . . 0.0 110.06 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -68.54 -26.67 65.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.196 0.907 . . . . 0.0 111.114 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.96 -72.34 0.07 Allowed 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 124.441 1.096 . . . . 0.0 108.283 164.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.3 m -55.63 -26.84 46.44 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.806 1.242 . . . . 0.0 113.882 -177.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -62.95 -49.44 74.73 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.865 1.266 . . . . 0.0 109.922 170.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -72.63 -34.2 67.17 Favored 'General case' 0 N--CA 1.424 -1.734 0 C-N-CA 125.813 1.645 . . . . 0.0 109.93 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.41 -43.58 92.98 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 120.809 1.64 . . . . 0.0 110.531 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.8 mtm -121.17 7.18 10.24 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -167.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m 47.52 77.66 0.09 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.99 1.716 . . . . 0.0 110.309 -171.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.5 mt -114.9 140.15 49.21 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 106.201 -1.777 . . . . 0.0 106.201 176.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.1 p -82.21 -177.19 6.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.22 1.01 . . . . 0.0 110.939 -161.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -19.76 61.25 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 118.186 -0.911 . . . . 0.0 112.503 171.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.25 -24.74 67.77 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.046 1.294 . . . . 0.0 112.079 -171.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.0 pt -68.25 -24.52 29.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-O 118.335 -0.841 . . . . 0.0 111.455 174.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -66.9 -27.65 67.67 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 120.314 1.416 . . . . 0.0 108.634 172.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.0 -40.36 62.99 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 120.61 1.55 . . . . 0.0 109.964 171.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -65.81 -42.53 90.53 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 118.85 0.75 . . . . 0.0 110.105 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.96 -32.36 61.7 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.193 1.397 . . . . 0.0 112.67 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -62.44 1.54 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 170.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -70.39 -3.39 17.28 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 116.373 -1.775 . . . . 0.0 112.159 -176.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -43.62 -61.93 1.25 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 121.698 2.044 . . . . 0.0 110.518 -170.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.416 ' CH2' HG21 ' A' ' 122' ' ' ILE . 49.6 m95 -72.52 17.06 0.12 Allowed 'General case' 0 C--O 1.239 0.545 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -56.49 161.56 2.6 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 120.821 1.646 . . . . 0.0 109.111 167.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -58.87 111.67 1.37 Allowed 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 113.197 -1.82 . . . . 0.0 107.549 152.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.4 -6.96 62.39 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-O 117.254 -1.859 . . . . 0.0 117.077 159.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -50.41 132.12 24.75 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 120.77 2.285 . . . . 0.0 112.917 -171.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -102.49 141.17 35.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-O 122.729 1.252 . . . . 0.0 111.697 170.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.8 mt -113.24 120.17 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 -172.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.32 -16.54 7.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 118.887 -0.578 . . . . 0.0 111.802 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -59.95 105.15 0.36 Allowed 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -53.64 -25.52 18.19 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 123.239 0.616 . . . . 0.0 111.232 164.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.12 -32.83 68.49 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.32 1.048 . . . . 0.0 110.379 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.6 p -67.0 -46.76 73.55 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.16 -55.34 16.0 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 125.18 1.372 . . . . 0.0 110.662 174.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -40.69 93.24 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 122.13 -0.63 . . . . 0.0 111.951 177.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.86 -57.19 14.15 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.073 0.851 . . . . 0.0 109.699 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.0 mt -48.41 -45.73 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 126.889 2.076 . . . . 0.0 109.816 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 41.5 ttp -57.72 -53.94 52.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.423 0.689 . . . . 0.0 110.147 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.1 t -60.52 -38.84 85.69 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.196 0.599 . . . . 0.0 111.821 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.44 -52.24 66.06 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 176.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.83 -48.53 50.89 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.993 1.317 . . . . 0.0 109.901 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.431 ' HA ' ' HB2' ' A' ' 62' ' ' LEU . 2.6 m -51.86 -56.17 15.67 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -67.4 -16.75 64.41 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.292 1.437 . . . . 0.0 114.059 -170.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.37 6.64 19.27 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 120.55 1.523 . . . . 0.0 111.476 169.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.611 ' HB3' HD22 ' A' ' 72' ' ' ASN . 2.3 t30 63.08 24.21 14.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.865 2.066 . . . . 0.0 111.356 -170.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 56.2 mtm -80.96 -5.29 57.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.947 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 57' ' ' THR . 1.9 mp -112.48 121.77 45.79 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -175.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.62 175.68 0.23 Allowed Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 128.85 2.86 . . . . 0.0 111.897 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.81 43.61 1.39 Allowed 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 124.018 3.145 . . . . 0.0 110.876 178.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -152.35 -54.76 0.13 Allowed 'General case' 0 N--CA 1.45 -0.463 1 C-N-CA 131.729 4.012 . . . . 0.0 106.832 -170.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.53 0.27 11.16 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 125.546 1.546 . . . . 0.0 112.929 -168.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -69.14 161.2 29.62 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.796 1.798 . . . . 0.0 110.72 173.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -70.77 109.29 4.88 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 175.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -78.59 96.15 5.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.168 1.387 . . . . 0.0 108.991 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -44.95 -54.17 6.83 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 126.63 1.972 . . . . 0.0 112.155 -177.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.89 -64.21 4.33 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 123.706 0.669 . . . . 0.0 111.851 -176.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.611 HD22 ' HB3' ' A' ' 60' ' ' ASN . 4.5 m-20 -63.96 -36.45 83.99 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 123.235 0.614 . . . . 0.0 112.365 -176.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.63 -47.16 77.08 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.163 0.585 . . . . 0.0 111.133 171.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ttm -69.43 -40.53 77.18 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.261 0.482 . . . . 0.0 111.289 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.83 -45.57 89.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 118.163 0.438 . . . . 0.0 109.864 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -53.36 -46.12 69.43 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.471 0.708 . . . . 0.0 110.305 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.09 -63.18 1.4 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.263 0.625 . . . . 0.0 111.094 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -55.46 -45.2 76.9 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 123.526 0.73 . . . . 0.0 110.214 -172.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -45.84 -49.06 15.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.77 1.628 . . . . 0.0 111.972 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -70.76 -11.77 61.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.631 -175.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.48 6.1 20.16 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.167 1.365 . . . . 0.0 112.2 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.95 152.22 46.15 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 119.068 1.434 . . . . 0.0 110.354 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.64 159.38 33.55 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 125.002 1.321 . . . . 0.0 109.346 170.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -59.85 -50.8 72.38 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 124.888 1.275 . . . . 0.0 111.572 169.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 54.5 m -61.46 -47.08 87.31 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.9 ttp -54.7 -55.2 32.38 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.74 70.39 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.852 -1.155 . . . . 0.0 112.577 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -54.33 31.24 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 117.938 -1.03 . . . . 0.0 108.613 172.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -48.66 -55.96 9.85 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.702 1.601 . . . . 0.0 110.989 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 mp -46.17 -54.35 8.84 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.05 1.34 . . . . 0.0 111.27 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.09 -37.57 72.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.43 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.22 -33.97 77.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 120.766 1.621 . . . . 0.0 111.67 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.407 HD13 ' CD ' ' A' ' 121' ' ' GLU . 23.8 mt -81.02 -52.53 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 C-N-CA 124.782 1.233 . . . . 0.0 109.006 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.0 t -56.72 -55.7 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 119.246 0.93 . . . . 0.0 108.558 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -59.28 -36.21 75.16 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.034 -1.041 . . . . 0.0 110.498 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.36 22.48 7.28 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 128.596 2.998 . . . . 0.0 113.578 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.7 m -130.17 -50.07 1.1 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 128.017 2.527 . . . . 0.0 105.927 168.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.64 -30.01 0.34 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 121.367 1.894 . . . . 0.0 115.023 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.36 -26.66 4.22 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.683 1.129 . . . . 0.0 112.818 171.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -35.37 79.97 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.177 0.898 . . . . 0.0 111.0 -178.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 m -63.95 122.82 79.45 Favored Pre-proline 0 N--CA 1.44 -0.97 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 173.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.72 145.45 32.63 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.91 1.74 . . . . 0.0 108.274 163.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -158.05 173.09 17.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 122.881 0.473 . . . . 0.0 110.398 177.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -63.66 173.94 1.54 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 162.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -69.64 -5.8 27.1 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.95 0.9 . . . . 0.0 112.587 158.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -64.82 100.26 0.39 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 167.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -33.55 9.47 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.837 1.655 . . . . 0.0 113.193 173.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 39.5 m -66.34 -46.55 76.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.003 0.82 . . . . 0.0 110.151 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.1 mm -63.9 -47.78 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.2 1.0 . . . . 0.0 108.559 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 34.3 t90 -48.56 -65.87 0.5 Allowed 'General case' 0 N--CA 1.437 -1.122 0 C-N-CA 125.904 1.681 . . . . 0.0 111.628 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 92.3 m -63.66 -23.93 67.58 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 118.846 -1.142 . . . . 0.0 111.617 -175.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -56.81 17.25 Favored 'General case' 0 C--N 1.343 0.314 0 O-C-N 120.774 -1.204 . . . . 0.0 109.843 171.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.61 96.39 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-O 119.279 -0.734 . . . . 0.0 111.417 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 38.0 t -56.72 -55.99 16.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 124.739 1.216 . . . . 0.0 107.965 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.94 -32.55 73.06 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 121.348 -0.845 . . . . 0.0 111.418 -177.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.4 m -74.0 -14.12 60.97 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.834 1.197 . . . . 0.0 112.209 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.6 p -83.87 -44.92 13.8 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.758 1.617 . . . . 0.0 110.919 161.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -58.16 -14.85 7.8 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 171.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -73.77 -63.01 1.3 Allowed 'General case' 0 C--O 1.224 -0.248 0 O-C-N 118.75 -2.469 . . . . 0.0 108.382 170.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.45 -43.95 68.5 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 124.555 1.142 . . . . 0.0 112.194 -166.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.407 ' CD ' HD13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -53.53 -41.88 66.86 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.084 1.354 . . . . 0.0 112.242 179.488 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.416 HG21 ' CH2' ' A' ' 37' ' ' TRP . 27.5 mm -64.13 -47.11 91.53 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -175.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -57.5 -43.27 84.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.07 0.548 . . . . 0.0 111.678 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.02 -49.5 77.66 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 120.036 1.289 . . . . 0.0 111.614 172.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.42 -2.95 2.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.653 1.181 . . . . 0.0 112.369 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 65.5 t30 51.89 36.22 17.67 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 126.562 1.945 . . . . 0.0 111.372 -174.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -87.65 2.45 50.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.722 1.609 . . . . 0.0 113.524 -170.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-N 119.598 1.09 . . . . 0.0 111.709 171.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 120.47 0.176 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -56.72 -38.03 71.77 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.471 1.108 . . . . 0.0 111.965 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -52.22 -49.92 63.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.683 1.193 . . . . 0.0 112.198 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -73.3 -50.17 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.7 tpt -47.68 -52.36 18.53 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 125.789 1.636 . . . . 0.0 112.256 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.31 -55.85 18.74 Favored 'General case' 0 C--O 1.231 0.093 0 C-N-CA 125.635 1.574 . . . . 0.0 109.68 174.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -64.54 -34.72 78.9 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -175.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.59 -58.83 6.84 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.43 16.23 0.11 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.078 1.751 . . . . 0.0 112.816 -178.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 tt -119.54 -55.23 2.13 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 127.445 2.298 . . . . 0.0 107.59 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -53.7 -46.4 70.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 125.547 1.539 . . . . 0.0 110.82 171.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -46.7 -41.75 15.53 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.721 1.208 . . . . 0.0 111.413 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.16 10.4 73.2 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 118.08 -1.4 . . . . 0.0 114.986 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -63.78 1.18 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.265 2.033 . . . . 0.0 111.263 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.49 27.05 0.16 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.968 1.307 . . . . 0.0 112.182 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.486 ' HA ' HD21 ' A' ' 55' ' ' LEU . 19.9 tp -57.46 -56.69 18.61 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 124.65 1.18 . . . . 0.0 109.646 175.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.55 -32.89 74.48 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.634 0.774 . . . . 0.0 111.912 -171.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -59.46 -64.53 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.198 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -53.15 -34.66 57.8 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.474 1.11 . . . . 0.0 112.838 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HB3' ' HE2' ' A' ' 20' ' ' LYS . 28.9 mtpt -56.1 -61.43 2.39 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.824 172.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -34.76 78.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.599 1.09 . . . . 0.0 110.898 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.58 -33.9 70.48 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.3 0.954 . . . . 0.0 112.823 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.0 mtm -118.28 3.26 11.96 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.825 0.85 . . . . 0.0 112.52 -174.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.0 m 49.85 70.04 0.54 Allowed 'General case' 0 C--O 1.24 0.553 0 C-N-CA 125.259 1.424 . . . . 0.0 111.155 -166.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 mt -106.15 164.19 12.19 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 169.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -106.46 177.96 4.7 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.26 -154.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -11.18 45.34 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 121.181 -0.95 . . . . 0.0 112.874 170.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.25 -25.86 67.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.301 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 pt -64.62 -30.2 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 118.504 0.593 . . . . 0.0 111.238 172.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.67 -36.31 82.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -40.99 96.1 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.607 0.763 . . . . 0.0 110.778 173.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -55.62 32.0 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -61.24 -40.19 93.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.849 0.859 . . . . 0.0 111.477 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -62.34 -38.87 91.15 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.18 1.392 . . . . 0.0 112.031 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -98.07 13.45 30.96 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.059 1.344 . . . . 0.0 111.188 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.65 -29.51 70.08 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 119.557 -1.964 . . . . 0.0 111.577 -171.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -102.9 33.88 3.07 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 125.31 1.444 . . . . 0.0 112.58 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -70.23 -171.5 0.46 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.262 1.825 . . . . 0.0 111.66 170.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.77 24.79 10.07 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.575 1.95 . . . . 0.0 114.649 -171.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.77 20.4 0.03 OUTLIER Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.298 1.427 . . . . 0.0 112.78 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -65.53 161.5 20.03 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.431 1.092 . . . . 0.0 109.896 172.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.434 ' OE1' ' HE2' ' A' ' 44' ' ' LYS . 36.8 tt0 -141.02 144.93 35.29 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 126.669 1.988 . . . . 0.0 108.836 170.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.7 mt -113.3 114.02 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 129.355 3.062 . . . . 0.0 105.455 -174.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HE2' ' OE1' ' A' ' 42' ' ' GLU . 51.0 mtmt -138.19 0.05 2.09 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -72.87 122.98 22.5 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 120.871 1.669 . . . . 0.0 109.12 175.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -54.75 -30.79 57.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.499 -0.751 . . . . 0.0 111.009 168.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.09 -33.73 76.07 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 118.78 -0.628 . . . . 0.0 109.872 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.1 p -71.89 -38.99 69.9 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.088 0.858 . . . . 0.0 109.489 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -54.67 -50.16 58.67 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.21 0.909 . . . . 0.0 112.554 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -32.85 72.73 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 117.305 0.553 . . . . 0.0 111.963 176.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.11 -52.7 64.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 118.958 0.799 . . . . 0.0 109.803 174.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.0 mt -52.53 -49.57 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.836 1.655 . . . . 0.0 109.088 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.6 ttp -62.06 -43.14 99.49 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.891 0.769 . . . . 0.0 112.532 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 23.0 t -65.54 -38.14 88.75 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.64 -0.662 . . . . 0.0 110.632 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 16' ' ' LEU . 92.0 mt -57.49 -53.64 55.85 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 170.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.76 -42.4 35.45 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.38 0.991 . . . . 0.0 112.269 178.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.1 m -56.39 -63.93 1.03 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -63.18 -18.18 63.21 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 126.589 1.956 . . . . 0.0 112.942 -171.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.2 mt -84.95 7.88 19.63 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.609 1.164 . . . . 0.0 111.181 175.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.1 t30 54.55 34.89 22.22 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.092 1.757 . . . . 0.0 110.709 -172.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.8 mtm -95.5 -0.88 51.71 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.632 -0.667 . . . . 0.0 111.729 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp -109.55 110.19 21.2 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -176.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -60.11 174.52 0.47 Allowed Pre-proline 0 C--O 1.238 0.498 0 C-N-CA 127.205 2.202 . . . . 0.0 110.673 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -81.05 40.94 1.06 Allowed 'Trans proline' 0 N--CA 1.458 -0.603 0 CA-C-N 120.542 1.229 . . . . 0.0 110.762 -173.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -146.56 -25.57 0.42 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 128.267 2.627 . . . . 0.0 108.398 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.8 12.48 34.69 Favored Glycine 0 C--N 1.343 0.941 0 C-N-CA 125.885 1.707 . . . . 0.0 113.772 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -136.97 64.08 1.55 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.472 1.636 . . . . 0.0 110.123 -161.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp 60.75 140.27 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 129.8 3.24 . . . . 0.0 113.473 -177.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -116.01 93.37 4.22 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 126.048 1.739 . . . . 0.0 108.229 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -47.2 -41.13 17.6 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.79 0.836 . . . . 0.0 113.048 -172.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -48.79 -76.34 0.16 Allowed Glycine 0 C--N 1.341 0.808 0 C-N-CA 124.49 1.043 . . . . 0.0 111.794 170.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -57.26 -32.77 66.92 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.008 1.404 . . . . 0.0 113.695 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.85 -55.91 26.94 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.946 1.248 . . . . 0.0 111.044 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.3 ttm -65.65 -39.23 91.18 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.299 1.039 . . . . 0.0 109.645 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.03 -56.93 14.83 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.871 1.668 . . . . 0.0 109.761 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.07 -48.35 44.2 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.114 0.966 . . . . 0.0 109.312 -175.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.77 -68.5 0.18 Allowed 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 123.772 0.829 . . . . 0.0 109.887 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -67.38 -16.75 64.42 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.159 1.383 . . . . 0.0 113.568 -170.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -66.77 -58.34 5.27 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 128.472 2.709 . . . . 0.0 109.804 167.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -73.06 -14.63 61.44 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 117.439 -1.267 . . . . 0.0 113.31 -170.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 134.19 5.51 2.67 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.782 1.182 . . . . 0.0 113.619 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.12 147.96 31.17 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 119.054 1.427 . . . . 0.0 111.27 -167.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.31 165.32 23.96 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 113.956 -1.474 . . . . 0.0 109.858 173.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -51.05 28.2 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.04 0.536 . . . . 0.0 110.85 -177.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.7 m -60.52 -41.75 95.02 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.547 0.612 . . . . 0.0 110.086 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.4 ttt -59.07 -44.96 91.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.699 0.8 . . . . 0.0 109.923 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.35 -37.31 83.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.284 -0.865 . . . . 0.0 111.561 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -55.55 33.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -51.95 -46.41 64.75 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.646 1.578 . . . . 0.0 111.321 175.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.53 -16.81 27.34 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 117.64 -1.171 . . . . 0.0 113.322 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -107.41 -35.99 3.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 117.548 -1.215 . . . . 0.0 111.092 172.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.22 -34.7 78.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 121.174 1.806 . . . . 0.0 111.421 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.79 -48.37 51.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.5 t -62.59 -66.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 124.932 1.293 . . . . 0.0 110.076 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -57.16 -27.26 61.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.735 1.614 . . . . 0.0 110.693 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.39 -62.61 4.72 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 173.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.8 m -58.9 -31.42 68.6 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.854 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -55.01 -12.25 0.81 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.16 1.345 . . . . 0.0 113.509 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -121.25 -47.35 2.26 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.367 1.867 . . . . 0.0 109.689 173.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 m -60.48 -47.99 83.73 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.006 1.722 . . . . 0.0 113.771 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.1 m -62.37 126.77 88.7 Favored Pre-proline 0 C--O 1.238 0.455 0 C-N-CA 124.197 0.999 . . . . 0.0 110.044 -172.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.9 129.33 14.19 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 122.478 2.119 . . . . 0.0 108.391 167.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.98 -177.24 5.12 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.994 1.718 . . . . 0.0 107.672 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.293 0.7 OUTLIER -109.12 171.7 7.28 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 163.268 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -52.81 -14.16 0.51 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.948 1.699 . . . . 0.0 113.504 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -68.04 94.26 0.48 Allowed 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.558 1.543 . . . . 0.0 110.291 172.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.421 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 5.7 mmpt? -54.66 -23.83 19.07 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.501 0.72 . . . . 0.0 112.705 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 62.7 m -59.24 -56.64 19.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.738 0.699 . . . . 0.0 110.081 169.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -41.22 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 124.583 1.153 . . . . 0.0 109.744 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.421 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 33.4 t90 -50.47 -62.07 1.81 Allowed 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 124.409 1.083 . . . . 0.0 111.088 172.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.9 m -63.26 -32.14 73.47 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.127 0.421 . . . . 0.0 111.742 -176.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.43 -48.15 72.02 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.05 -1.031 . . . . 0.0 109.959 167.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.47 -46.23 86.43 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.085 -0.842 . . . . 0.0 111.544 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.53 -47.85 90.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.173 0.989 . . . . 0.0 109.73 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.29 -32.81 74.65 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.793 -1.192 . . . . 0.0 111.181 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.7 m -71.8 -45.54 61.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.394 -0.812 . . . . 0.0 112.117 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 21.4 p -62.0 -42.62 99.35 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.117 1.326 . . . . 0.0 109.0 176.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.585 ' CZ ' HD11 ' A' ' 122' ' ' ILE . 24.1 t80 -58.25 -47.9 82.12 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.6 1.16 . . . . 0.0 111.063 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -49.33 -50.79 38.09 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.99 0.916 . . . . 0.0 111.259 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.53 -38.39 59.61 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.22 0.464 . . . . 0.0 112.148 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -62.45 -42.55 99.54 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 118.911 0.778 . . . . 0.0 110.123 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.585 HD11 ' CZ ' ' A' ' 118' ' ' PHE . 7.6 mm -59.11 -37.25 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.476 1.51 . . . . 0.0 109.722 -177.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -62.93 -52.87 61.39 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.163 0.585 . . . . 0.0 110.363 172.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -45.78 88.88 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.044 -1.035 . . . . 0.0 112.208 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.22 -10.36 15.22 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.377 1.871 . . . . 0.0 112.083 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.3 t30 62.2 34.98 15.78 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.386 1.474 . . . . 0.0 111.167 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -89.18 19.19 4.43 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.402 1.881 . . . . 0.0 112.383 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 C-N-CA 124.939 1.295 . . . . 0.0 110.174 171.749 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 119.76 -0.162 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -52.66 -28.77 22.98 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.059 1.744 . . . . 0.0 114.399 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -48.83 -69.8 0.11 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.094 1.358 . . . . 0.0 109.074 172.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.8 p -65.97 -37.16 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 C-N-CA 123.906 0.882 . . . . 0.0 111.967 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -46.32 70.65 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.442 0.297 . . . . 0.0 110.682 -176.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -60.96 -48.92 79.57 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 121.35 -0.844 . . . . 0.0 110.772 173.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -62.66 -34.69 77.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -173.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.23 -56.03 27.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.282 1.433 . . . . 0.0 108.791 170.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 m -58.87 -32.0 69.07 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.0 tp -70.21 -49.92 45.33 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.489 1.516 . . . . 0.0 108.504 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -75.91 -29.56 58.46 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 114.173 -1.376 . . . . 0.0 111.52 -174.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.459 ' O ' HD22 ' A' ' 55' ' ' LEU . 89.6 t80 -56.73 -53.2 60.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 165.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.21 -1.68 7.79 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-O 118.433 -1.204 . . . . 0.0 115.255 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -57.49 -34.49 69.11 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 121.042 2.421 . . . . 0.0 112.642 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.42 10.42 41.42 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -54.55 -55.26 31.12 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 125.368 1.467 . . . . 0.0 108.203 -178.32 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -72.48 -30.24 64.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.051 -167.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.15 -60.52 3.62 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 m -54.28 -40.41 67.81 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.099 0.959 . . . . 0.0 109.409 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.454 ' HD2' HD21 ' A' ' 16' ' ' LEU . 4.2 mtpm? -53.4 -60.26 3.53 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 125.03 1.332 . . . . 0.0 109.206 176.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -69.65 -33.92 73.28 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 118.883 -1.127 . . . . 0.0 110.513 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -59.51 -33.33 71.22 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.638 1.175 . . . . 0.0 113.693 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.0 mtp -113.76 3.17 15.43 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.598 1.159 . . . . 0.0 111.146 -173.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m 42.46 78.92 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.134 1.773 . . . . 0.0 111.168 -161.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mt -117.49 154.42 31.46 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 106.76 -1.571 . . . . 0.0 106.76 168.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.1 p -93.53 161.13 14.49 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 123.372 0.669 . . . . 0.0 110.288 -161.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -67.73 -13.74 62.36 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.368 1.067 . . . . 0.0 111.862 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.8 -34.2 52.52 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 119.222 -0.418 . . . . 0.0 111.899 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 pt -79.82 -14.02 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.086 0.857 . . . . 0.0 112.808 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -62.29 -41.08 98.2 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 173.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -45.86 81.25 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.322 1.449 . . . . 0.0 110.816 170.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -70.15 -14.96 62.88 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.498 1.119 . . . . 0.0 112.402 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -100.47 -36.51 9.18 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.639 1.576 . . . . 0.0 111.844 175.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -68.12 -65.18 0.73 Allowed 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 126.897 2.079 . . . . 0.0 108.894 175.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -77.17 12.59 1.39 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.492 1.117 . . . . 0.0 111.19 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -54.48 -37.49 65.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 120.31 1.414 . . . . 0.0 109.871 173.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -97.03 66.11 2.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.67 1.588 . . . . 0.0 109.48 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.98 173.69 6.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 128.653 2.781 . . . . 0.0 110.532 167.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.23 49.5 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.097 1.359 . . . . 0.0 113.115 -170.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.25 52.56 0.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 107.865 -2.094 . . . . 0.0 107.865 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -88.66 147.39 24.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 162.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.75 134.4 55.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.783 0.801 . . . . 0.0 112.669 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.1 mt -113.7 107.8 23.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 127.671 2.388 . . . . 0.0 106.042 -167.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 -14.78 3.92 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.172 -0.918 . . . . 0.0 113.338 -175.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -64.63 122.52 17.03 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 120.346 1.43 . . . . 0.0 109.38 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -57.94 -25.9 61.54 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.731 -0.605 . . . . 0.0 110.596 175.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -65.15 -20.29 66.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.344 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 p -71.89 -48.31 46.58 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.911 1.232 . . . . 0.0 108.715 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 112' ' ' LEU . . . -56.47 -45.92 88.62 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 124.544 1.069 . . . . 0.0 111.994 -173.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -40.39 97.59 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.535 -0.333 . . . . 0.0 111.818 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.42 84.86 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.565 -0.709 . . . . 0.0 110.752 174.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.34 -43.91 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.717 0.807 . . . . 0.0 110.054 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -59.87 -49.83 76.15 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 119.347 0.976 . . . . 0.0 111.397 173.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.4 t -56.7 -43.13 80.25 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 117.964 0.347 . . . . 0.0 110.951 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.462 HD21 ' N ' ' A' ' 16' ' ' LEU . 71.8 mt -57.43 -56.36 22.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.097 174.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 m -49.8 -46.31 50.83 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.547 1.067 . . . . 0.0 112.0 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 m -51.76 -56.41 14.01 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.816 1.189 . . . . 0.0 110.186 170.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -61.38 -36.8 81.26 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.555 1.07 . . . . 0.0 112.14 -170.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.27 -21.79 66.77 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.836 0.744 . . . . 0.0 110.8 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.2 t30 63.94 100.14 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 127.09 2.156 . . . . 0.0 107.344 -150.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 26.1 mtm -148.28 4.83 0.72 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.285 1.034 . . . . 0.0 112.839 172.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.6 mt -102.17 122.56 44.4 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.746 1.157 . . . . 0.0 108.115 175.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.3 171.09 3.59 Favored Pre-proline 0 N--CA 1.477 0.903 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.61 -7.73 20.21 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.5 2.133 . . . . 0.0 112.71 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -98.82 -13.39 20.13 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 126.804 2.042 . . . . 0.0 110.667 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.92 29.8 40.95 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.374 1.464 . . . . 0.0 113.533 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -130.53 59.45 1.65 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.686 1.243 . . . . 0.0 110.223 -174.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? 62.98 112.25 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.421 1.888 . . . . 0.0 112.792 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -78.88 90.64 4.72 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.049 0.94 . . . . 0.0 109.638 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -42.24 -42.08 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 126.095 1.758 . . . . 0.0 113.43 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.97 -73.85 0.42 Allowed Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.45 0.548 . . . . 0.0 112.595 173.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -56.62 -37.37 70.61 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.956 1.302 . . . . 0.0 113.088 -176.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.05 -53.42 57.19 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.594 1.557 . . . . 0.0 109.788 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.489 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 8.7 ttm -65.73 -36.43 83.57 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.573 0.749 . . . . 0.0 110.82 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -53.29 59.39 Favored 'General case' 0 N--CA 1.432 -1.373 0 C-N-CA 123.703 0.801 . . . . 0.0 110.227 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -53.67 -39.84 65.44 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.068 0.547 . . . . 0.0 110.192 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.35 -67.77 0.32 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.442 0.697 . . . . 0.0 110.52 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.489 ' HE2' ' SD ' ' A' ' 74' ' ' MET . 0.9 OUTLIER -57.6 -34.24 69.05 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.838 -0.539 . . . . 0.0 111.008 -175.314 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -52.44 -43.09 64.68 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.4 1.88 . . . . 0.0 112.166 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -84.54 2.18 42.41 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.821 0.737 . . . . 0.0 111.636 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.52 23.34 34.11 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-N 119.315 0.961 . . . . 0.0 112.294 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.67 146.42 30.85 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.616 1.708 . . . . 0.0 107.809 169.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.4 162.24 28.55 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 174.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.08 -58.99 4.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.387 1.475 . . . . 0.0 111.446 -173.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.3 m -61.8 -34.55 76.1 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.328 0.651 . . . . 0.0 109.66 175.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.557 ' O ' HD22 ' A' ' 90' ' ' LEU . 8.7 ttt -54.15 -59.41 4.69 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 176.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.75 73.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 117.172 -1.394 . . . . 0.0 112.379 -175.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -58.87 -50.94 72.1 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.011 0.823 . . . . 0.0 110.224 170.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -52.75 -56.2 17.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 124.955 1.302 . . . . 0.0 111.427 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 86' ' ' MET . 1.1 mm? -53.7 -39.12 64.91 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 120.365 1.439 . . . . 0.0 112.842 177.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mt -73.19 -38.28 54.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-N 120.177 1.353 . . . . 0.0 111.468 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.29 -34.84 77.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 120.828 1.649 . . . . 0.0 110.375 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mt -72.69 -57.13 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.279 1.031 . . . . 0.0 109.249 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.9 t -58.39 -56.81 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 124.384 1.074 . . . . 0.0 110.075 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -56.08 -38.38 70.6 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.45 0.7 . . . . 0.0 109.163 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.27 17.6 9.74 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 127.582 2.515 . . . . 0.0 113.057 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 100' ' ' SER . 22.2 m -126.59 -34.74 2.41 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 116.555 -1.688 . . . . 0.0 110.2 166.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.63 -24.01 0.48 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 121.903 2.138 . . . . 0.0 115.657 -177.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 -25.28 1.93 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 120.124 -1.61 . . . . 0.0 112.91 176.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.446 ' HB2' ' HA ' ' A' ' 97' ' ' CYS . 59.8 m -60.04 -46.29 90.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.09 1.756 . . . . 0.0 111.781 170.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.9 m -73.81 122.37 87.42 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 125.479 1.512 . . . . 0.0 108.541 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -76.07 145.31 27.79 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.103 2.535 . . . . 0.0 110.858 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.99 -174.82 5.11 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.465 1.506 . . . . 0.0 110.093 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -179.54 3.98 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.25 1.02 . . . . 0.0 110.155 171.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -10.61 11.2 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 125.576 1.55 . . . . 0.0 112.791 171.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.46 92.03 0.8 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 166.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -54.48 -26.94 34.32 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 124.31 1.044 . . . . 0.0 111.53 173.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 63.7 m -54.67 -55.13 32.94 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 171.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.6 mt -63.83 -44.78 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 125.312 1.445 . . . . 0.0 109.534 -175.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -51.5 -60.27 3.33 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.696 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.5 m -69.67 -23.23 63.43 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.402 1.001 . . . . 0.0 112.369 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.44 ' HB2' ' HA3' ' A' ' 49' ' ' GLY . 2.1 tp -58.76 -50.64 73.2 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.663 -1.273 . . . . 0.0 108.622 164.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.83 -51.87 46.4 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 124.773 1.178 . . . . 0.0 111.298 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.27 -30.38 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 C-N-CA 124.456 1.102 . . . . 0.0 110.822 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.86 -36.25 56.9 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.614 -1.304 . . . . 0.0 112.203 171.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.8 m -71.54 -47.36 55.65 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.414 1.085 . . . . 0.0 110.579 -172.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 26.3 p -57.05 -48.58 78.19 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 175.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.402 ' CZ ' HD11 ' A' ' 122' ' ' ILE . 88.9 t80 -57.81 -50.06 74.56 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.663 1.985 . . . . 0.0 110.329 -178.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.08 -52.02 9.53 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.777 1.631 . . . . 0.0 110.392 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.37 -25.0 68.09 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.22 -34.54 49.25 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.187 0.995 . . . . 0.0 110.507 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.402 HD11 ' CZ ' ' A' ' 118' ' ' PHE . 3.0 mm -64.5 -42.29 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -53.14 -55.81 21.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.655 0.782 . . . . 0.0 111.429 166.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -49.83 -51.63 38.46 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.668 1.576 . . . . 0.0 112.071 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.2 mt -69.33 -6.76 31.72 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.709 1.203 . . . . 0.0 112.393 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 51.3 t30 54.64 26.1 7.08 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.138 2.175 . . . . 0.0 111.847 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -79.81 31.72 0.25 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.057 1.343 . . . . 0.0 112.551 -178.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.832 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 175.915 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.271 2.2 mm-40 22.2 -78.0 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 147.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -49.85 -68.99 0.13 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.061 1.344 . . . . 0.0 111.637 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.07 -33.34 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.977 0.911 . . . . 0.0 111.063 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -50.33 74.38 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 123.76 0.824 . . . . 0.0 110.71 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -60.1 -45.94 91.26 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.7 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -57.76 -40.99 81.04 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.599 1.16 . . . . 0.0 111.921 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mt -66.67 -47.94 70.88 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.674 1.19 . . . . 0.0 109.877 174.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t -72.81 19.83 0.08 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.943 1.697 . . . . 0.0 111.764 173.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -129.07 -51.6 1.21 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 126.04 1.736 . . . . 0.0 108.599 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -60.93 -27.09 67.95 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.796 1.238 . . . . 0.0 112.344 174.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -53.8 -65.57 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.274 1.829 . . . . 0.0 108.334 170.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.45 36.2 2.43 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 120.987 -1.071 . . . . 0.0 113.28 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -66.35 -62.66 1.35 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.618 1.709 . . . . 0.0 109.428 169.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.79 22.36 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.638 1.575 . . . . 0.0 113.355 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.05 -50.26 72.68 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 120.871 -1.143 . . . . 0.0 110.448 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.45 -35.89 72.83 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.232 0.924 . . . . 0.0 112.535 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.66 -67.02 0.4 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 173.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 70.3 m -48.59 -43.04 35.67 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.457 0.703 . . . . 0.0 111.986 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HG2' HD11 ' A' ' 29' ' ' ILE . 21.3 mtpp -51.57 -54.73 24.47 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.626 1.57 . . . . 0.0 111.105 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -82.24 -19.84 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.064 0.393 . . . . 0.0 110.993 -175.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.43 -27.75 63.5 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.182 0.993 . . . . 0.0 112.971 173.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.5 mtp -118.24 -14.71 9.83 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.263 1.025 . . . . 0.0 112.218 -171.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.0 m 57.36 87.92 0.06 Allowed 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.574 1.55 . . . . 0.0 109.779 -156.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.7 mt -119.53 139.63 51.8 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 167.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.8 p -67.35 164.12 19.24 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 125.044 1.337 . . . . 0.0 111.422 -170.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -22.41 65.75 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.176 -0.952 . . . . 0.0 111.059 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.65 -22.74 64.17 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -176.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.475 HD11 ' HG2' ' A' ' 20' ' ' LYS . 2.3 pt -72.58 -26.16 23.67 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 CA-C-O 117.663 -1.16 . . . . 0.0 111.941 174.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -60.28 -47.55 85.51 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 120.261 1.391 . . . . 0.0 107.325 173.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' HG3' HD22 ' A' ' 35' ' ' ASN . 2.8 tt0 -59.04 -44.05 91.72 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.543 1.137 . . . . 0.0 110.386 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.0 -57.78 11.19 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.699 0.399 . . . . 0.0 110.028 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.6 -45.19 81.55 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.399 1.48 . . . . 0.0 111.809 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -62.0 -48.84 78.51 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.887 1.275 . . . . 0.0 110.281 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.427 HD22 ' HG3' ' A' ' 31' ' ' GLU . 73.9 m-80 -91.54 2.19 56.61 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 117.542 -1.218 . . . . 0.0 112.36 -173.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -50.27 -38.28 40.29 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 120.649 1.568 . . . . 0.0 112.683 -168.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.464 ' CH2' HG21 ' A' ' 122' ' ' ILE . 39.8 m95 -82.81 26.44 0.59 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.579 1.552 . . . . 0.0 114.477 176.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -72.18 168.17 18.78 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 126.13 1.772 . . . . 0.0 109.558 167.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -96.72 24.67 5.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -167.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.91 30.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.673 0 C-N-CA 124.795 1.188 . . . . 0.0 111.765 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -72.35 131.18 42.31 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.956 0.878 . . . . 0.0 108.921 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -101.28 138.06 38.81 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.773 0.829 . . . . 0.0 112.557 169.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -115.08 103.48 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 -164.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -137.27 4.48 2.68 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -63.84 93.46 0.08 Allowed 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 158.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.425 ' HA ' ' CD1' ' A' ' 112' ' ' LEU . 51.8 ttt-85 -46.23 -30.82 2.15 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.176 1.391 . . . . 0.0 113.355 174.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.7 -24.29 65.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.858 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.6 p -69.04 -41.92 77.03 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 119.765 1.166 . . . . 0.0 108.455 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.08 -47.07 75.56 Favored Glycine 0 C--N 1.335 0.522 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -30.64 63.83 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.894 -1.05 . . . . 0.0 113.449 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.52 -55.39 35.49 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 121.26 1.845 . . . . 0.0 108.799 167.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.2 mt -49.74 -42.21 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 125.466 1.507 . . . . 0.0 109.332 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 39.0 ttp -61.65 -55.99 24.63 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.216 1.006 . . . . 0.0 112.75 172.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.24 -58.18 7.95 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.126 0.971 . . . . 0.0 111.311 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -48.4 -49.15 36.01 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 125.847 1.659 . . . . 0.0 111.364 172.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.2 m -51.24 -50.42 59.21 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.081 1.31 . . . . 0.0 112.535 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -53.22 -50.15 65.3 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.774 1.17 . . . . 0.0 110.444 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -63.19 -18.22 63.25 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -173.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.08 2.24 55.15 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 121.388 1.904 . . . . 0.0 111.974 171.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.2 t30 66.08 36.25 5.82 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 128.171 2.589 . . . . 0.0 113.162 -168.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 47.9 mtm -95.65 8.89 42.12 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.981 -1.074 . . . . 0.0 112.281 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.2 mt -118.88 98.32 6.14 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 120.365 1.439 . . . . 0.0 108.702 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.53 167.14 0.49 Allowed Pre-proline 0 CA--C 1.537 0.457 0 C-N-CA 128.411 2.685 . . . . 0.0 109.915 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -84.98 41.6 0.98 Allowed 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.067 1.845 . . . . 0.0 112.702 -158.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -147.38 -18.38 0.38 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.99 2.916 . . . . 0.0 109.448 -176.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.97 20.69 32.68 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.314 1.435 . . . . 0.0 112.91 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -95.07 164.45 12.87 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.241 1.416 . . . . 0.0 109.194 165.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 tt -80.03 120.28 23.99 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -176.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.13 85.99 2.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.696 1.198 . . . . 0.0 108.868 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -50.75 -36.61 37.45 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 125.615 1.566 . . . . 0.0 111.975 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.1 -68.53 1.37 Allowed Glycine 0 CA--C 1.523 0.558 0 C-N-CA 124.401 1.0 . . . . 0.0 112.02 170.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -29.12 70.4 Favored 'General case' 0 CA--C 1.53 0.205 0 O-C-N 122.217 -0.578 . . . . 0.0 111.589 -176.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.13 97.61 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.537 1.135 . . . . 0.0 111.209 173.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.3 ttm -69.57 -38.53 77.43 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.441 -0.787 . . . . 0.0 111.389 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.92 -47.6 84.43 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -52.14 -45.52 65.03 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.982 1.313 . . . . 0.0 110.121 174.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.85 -58.52 7.63 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 124.233 1.013 . . . . 0.0 110.712 -177.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.9 mppp? -59.55 -43.91 93.41 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.332 0.653 . . . . 0.0 109.425 -177.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -46.1 -55.75 6.56 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.458 1.503 . . . . 0.0 111.105 173.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -75.62 -7.78 55.13 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 117.772 -1.108 . . . . 0.0 113.577 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.35 8.02 33.9 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 120.279 1.4 . . . . 0.0 114.691 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.42 159.36 21.49 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.369 1.585 . . . . 0.0 109.05 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.68 171.48 14.97 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.958 0.409 . . . . 0.0 110.624 179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -53.18 59.15 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.469 1.107 . . . . 0.0 108.594 172.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.3 m -58.04 -50.68 72.59 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.86 1.264 . . . . 0.0 108.866 -175.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.6 ttp -59.89 -49.36 77.99 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.316 1.046 . . . . 0.0 110.626 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.8 -29.7 69.71 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 120.015 1.279 . . . . 0.0 112.833 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -60.63 -50.87 71.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.25 169.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -56.98 -44.35 82.61 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.752 1.221 . . . . 0.0 111.776 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.9 mt -63.62 -16.45 60.94 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.233 1.013 . . . . 0.0 112.684 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mp -99.6 -41.23 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.053 167.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.35 -44.47 80.13 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 120.87 1.668 . . . . 0.0 111.184 -176.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 55.4 mt -70.04 -53.66 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.43 1.092 . . . . 0.0 108.889 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.23 -56.97 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 124.258 1.023 . . . . 0.0 110.151 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -51.81 -42.21 62.33 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.451 1.5 . . . . 0.0 108.321 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.79 -52.75 40.36 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 125.423 1.487 . . . . 0.0 112.406 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 11.6 m -68.86 -30.86 69.47 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 116.061 -1.924 . . . . 0.0 112.903 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -15.09 0.66 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 122.26 2.3 . . . . 0.0 115.883 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.43 -29.44 2.44 Favored 'General case' 0 N--CA 1.461 0.083 0 C-N-CA 125.675 1.59 . . . . 0.0 113.131 175.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.19 -53.11 49.65 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.704 0.802 . . . . 0.0 112.2 172.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.8 m -55.51 116.85 12.89 Favored Pre-proline 0 N--CA 1.451 -0.41 0 C-N-CA 125.248 1.419 . . . . 0.0 109.744 -171.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.39 129.1 11.7 Favored 'Trans proline' 0 N--CA 1.444 -1.402 0 C-N-CA 122.154 1.903 . . . . 0.0 108.477 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -139.32 170.22 16.33 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.718 1.207 . . . . 0.0 109.317 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -80.59 -175.0 4.99 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 163.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -5.53 6.24 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.573 -0.704 . . . . 0.0 112.225 166.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -70.05 95.32 0.95 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.358 1.063 . . . . 0.0 109.31 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.6 ' HE3' ' CE3' ' A' ' 110' ' ' TRP . 2.3 mmmt -53.01 -27.77 20.91 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.54 -1.219 . . . . 0.0 112.992 178.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 34.1 m -61.42 -50.47 72.68 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.783 1.174 . . . . 0.0 108.598 174.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.0 mm -60.42 -47.83 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 126.059 1.744 . . . . 0.0 109.164 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.6 ' CE3' ' HE3' ' A' ' 107' ' ' LYS . 27.0 t90 -50.7 -63.66 1.06 Allowed 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 124.493 1.117 . . . . 0.0 110.696 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.8 m -60.14 -31.33 69.98 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.03 0.932 . . . . 0.0 110.784 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -60.76 -53.83 52.57 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 125.092 1.357 . . . . 0.0 111.142 172.472 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.36 -44.02 95.39 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 40.4 t -57.38 -42.61 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 117.441 0.62 . . . . 0.0 110.767 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.3 71.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.878 -1.139 . . . . 0.0 111.989 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.3 m -73.1 -41.92 63.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.618 0.767 . . . . 0.0 110.904 -172.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 6.7 p -65.15 -45.77 83.63 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.243 0.929 . . . . 0.0 109.288 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -56.64 -52.36 65.17 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.999 1.719 . . . . 0.0 110.675 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -47.65 -54.42 12.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.44 1.018 . . . . 0.0 110.067 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.96 -35.11 72.62 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.91 -42.08 99.66 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 121.301 -0.874 . . . . 0.0 110.435 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.464 HG21 ' CH2' ' A' ' 37' ' ' TRP . 15.7 mm -56.6 -47.16 82.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 119.541 1.064 . . . . 0.0 109.824 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -56.81 -43.94 81.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.046 0.538 . . . . 0.0 110.888 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -40.34 94.9 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.075 1.35 . . . . 0.0 108.556 -178.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 38.3 mt -71.74 -3.57 22.74 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.875 -176.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 36.6 t30 54.95 22.97 4.67 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 128.516 2.726 . . . . 0.0 111.605 -167.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -73.24 9.89 1.14 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.625 1.57 . . . . 0.0 112.298 175.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 1 C-N-CA 133.822 4.849 . . . . 0.0 110.861 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 CA--C 1.514 -0.41 0 CA-C-O 117.007 -1.473 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 23.48 -87.18 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.888 2.875 . . . . 0.0 113.649 160.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -43.77 -64.85 0.58 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 129.704 3.201 . . . . 0.0 112.352 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.614 HG12 ' CD1' ' A' ' 8' ' ' LEU . 6.8 t -56.72 -45.71 82.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 C-N-CA 123.976 0.911 . . . . 0.0 108.566 175.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -39.57 74.65 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.02 -1.05 . . . . 0.0 110.191 -175.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -56.03 -55.06 37.37 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 118.893 0.77 . . . . 0.0 109.763 171.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -48.11 -49.07 33.31 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.292 1.837 . . . . 0.0 110.129 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.614 ' CD1' HG12 ' A' ' 4' ' ' VAL . 7.1 mp -54.01 -57.41 11.14 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.413 1.085 . . . . 0.0 109.518 177.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 p -64.41 -22.73 67.05 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.18 -62.82 1.22 Allowed 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.441 ' HA ' ' HG2' ' A' ' 14' ' ' LYS . 9.6 m-80 -77.24 -20.44 55.22 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 114.295 -1.321 . . . . 0.0 111.02 -169.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -57.26 -62.25 1.9 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.358 1.063 . . . . 0.0 109.175 164.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.47 12.32 3.54 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 118.597 -1.113 . . . . 0.0 114.206 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' A' ' 11' ' ' ASN . 21.1 mmtp -56.77 -52.13 66.22 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.503 2.151 . . . . 0.0 110.678 174.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.32 17.78 0.61 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.709 1.204 . . . . 0.0 112.417 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tp -56.7 -53.51 56.9 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 120.151 1.341 . . . . 0.0 109.996 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.56 -31.54 69.78 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 118.289 0.495 . . . . 0.0 111.804 -173.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -54.22 -60.83 2.81 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 168.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.2 m -59.38 -31.25 69.05 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.778 1.231 . . . . 0.0 113.12 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.15 -56.69 16.21 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 172.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -76.42 -26.39 55.47 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 118.965 0.802 . . . . 0.0 111.526 -171.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.26 -35.29 67.27 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 125.99 1.716 . . . . 0.0 112.506 175.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mtm -130.99 1.88 4.3 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.277 0.631 . . . . 0.0 111.89 -169.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.3 m 44.72 84.2 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.288 1.435 . . . . 0.0 110.75 -158.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 mt -108.18 136.44 47.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 164.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.3 p -60.93 161.47 8.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.051 0.844 . . . . 0.0 112.587 -171.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -23.43 67.22 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 122.929 0.492 . . . . 0.0 111.69 164.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.68 -16.26 60.56 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -173.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pt -72.26 -21.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.97 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -57.22 -43.37 82.78 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -59.96 -51.18 70.78 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.89 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -65.28 -16.61 63.75 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.752 1.16 . . . . 0.0 112.263 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -92.68 -48.59 6.51 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 125.912 1.685 . . . . 0.0 110.812 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.61 -50.48 71.87 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.37 2.268 . . . . 0.0 110.089 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -93.36 6.13 49.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.452 2.301 . . . . 0.0 111.884 -176.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -50.08 -34.14 20.78 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.621 1.1 . . . . 0.0 110.509 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -94.98 17.88 13.07 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.521 1.928 . . . . 0.0 114.822 -174.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.95 165.56 8.67 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.975 -1.078 . . . . 0.0 109.865 168.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -89.09 24.5 2.1 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 125.086 1.354 . . . . 0.0 114.344 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.99 17.39 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 C-N-CA 123.806 0.717 . . . . 0.0 112.614 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -73.46 129.78 38.71 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 118.33 1.065 . . . . 0.0 109.766 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -97.1 134.99 39.72 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.755 174.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.5 mt -113.87 110.19 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.01 4.24 4.11 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.661 0.784 . . . . 0.0 112.011 175.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.531 ' HB3' HG23 ' A' ' 48' ' ' THR . 32.0 t-20 -62.2 110.28 1.57 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.822 1.649 . . . . 0.0 109.197 173.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.411 ' HE ' HD11 ' A' ' 109' ' ' ILE . 32.0 ttm105 -61.08 -26.68 67.81 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 121.146 -0.971 . . . . 0.0 111.08 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.62 -31.39 70.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.714 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.531 HG23 ' HB3' ' A' ' 45' ' ' ASN . 40.2 p -71.13 -40.73 71.24 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 119.454 1.024 . . . . 0.0 108.54 -176.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA3' ' HB2' ' A' ' 112' ' ' LEU . . . -57.75 -45.7 93.11 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 177.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.77 -28.65 61.77 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 176.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.5 -49.97 71.46 Favored 'General case' 0 C--O 1.227 -0.097 0 CA-C-N 119.412 1.005 . . . . 0.0 109.816 171.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.31 -41.68 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 124.61 1.164 . . . . 0.0 109.358 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -61.99 -52.14 65.2 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.959 0.799 . . . . 0.0 110.727 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.0 t -56.4 -45.31 80.7 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.606 -1.309 . . . . 0.0 111.046 178.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.4 -45.34 93.55 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.298 -0.877 . . . . 0.0 111.088 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.7 m -49.95 -55.95 12.5 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.051 1.34 . . . . 0.0 110.584 172.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 m -50.23 -56.61 10.41 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.006 0.922 . . . . 0.0 110.355 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -62.23 -13.45 28.15 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.25 1.42 . . . . 0.0 112.177 -173.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.6 mt -102.8 9.08 39.21 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.057 1.343 . . . . 0.0 110.864 176.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 44.05 49.42 7.43 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 129.34 3.056 . . . . 0.0 112.32 -163.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -93.87 29.54 2.06 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 121.753 -0.592 . . . . 0.0 111.185 175.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 62' ' ' LEU . 15.4 mt -125.74 119.76 28.8 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 121.518 -0.739 . . . . 0.0 109.138 173.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.77 172.03 1.24 Allowed Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 127.207 2.203 . . . . 0.0 109.512 177.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.92 4.07 3.44 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.695 2.263 . . . . 0.0 115.022 -171.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -114.59 -15.41 11.99 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.135 1.334 . . . . 0.0 112.694 166.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.18 24.73 11.07 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 124.693 1.14 . . . . 0.0 113.594 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -121.97 93.74 4.09 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 24.36 124.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.667 1 C-N-CA 135.53 5.532 . . . . 0.0 117.539 -177.126 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -79.57 84.31 5.45 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.459 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -53.65 -33.43 55.18 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.574 1.55 . . . . 0.0 112.565 175.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.13 -58.33 15.13 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 123.261 0.458 . . . . 0.0 112.064 170.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.47 -23.26 62.66 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.385 -1.068 . . . . 0.0 111.467 -176.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.92 -54.5 15.13 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.464 1.505 . . . . 0.0 110.529 173.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.8 ttm -59.68 -35.52 74.63 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.681 0.673 . . . . 0.0 110.997 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -58.99 -43.58 91.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.14 174.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -54.6 -47.95 72.74 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.86 10.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.4 0.68 . . . . 0.0 111.325 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -22.35 64.93 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.139 0.881 . . . . 0.0 111.517 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -66.29 -50.22 64.43 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 125.215 1.406 . . . . 0.0 110.186 167.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -76.4 -9.05 58.35 Favored 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -164.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.03 7.05 27.51 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 119.625 1.102 . . . . 0.0 112.888 -173.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.97 166.09 17.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 119.329 1.564 . . . . 0.0 110.892 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.446 ' H ' ' HE3' ' A' ' 86' ' ' MET . 7.1 m-20 -96.41 167.47 11.15 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.174 1.789 . . . . 0.0 108.808 -170.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -50.9 66.98 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.298 1.039 . . . . 0.0 111.383 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -62.68 -48.02 81.11 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 123.557 0.743 . . . . 0.0 109.369 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.446 ' HE3' ' H ' ' A' ' 83' ' ' ASP . 1.2 ttp -55.79 -46.24 78.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.578 0.751 . . . . 0.0 109.824 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.64 84.64 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.451 -0.785 . . . . 0.0 112.029 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -69.02 -38.38 79.17 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.522 -1.228 . . . . 0.0 110.727 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -56.79 -49.11 76.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 120.469 1.486 . . . . 0.0 111.343 174.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.05 -17.47 57.49 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.667 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.1 mt -96.73 -40.57 10.57 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 119.98 1.264 . . . . 0.0 111.511 170.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.6 -43.56 84.78 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 119.607 1.094 . . . . 0.0 110.21 -174.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.2 mt -76.1 -40.87 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.149 0.98 . . . . 0.0 109.426 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.19 -55.7 15.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 124.218 1.007 . . . . 0.0 110.406 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -55.44 -40.69 71.84 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.128 1.371 . . . . 0.0 108.428 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.72 15.05 2.34 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 127.366 2.412 . . . . 0.0 114.639 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 53.8 m -127.78 -29.02 2.64 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 125.739 1.616 . . . . 0.0 110.335 169.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -50.71 -26.03 5.03 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 122.226 2.285 . . . . 0.0 115.567 -175.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -33.46 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.743 1.217 . . . . 0.0 110.7 177.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.7 m -56.86 -46.96 81.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 127.331 2.252 . . . . 0.0 112.848 173.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.2 m -65.78 118.86 55.77 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 174.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.95 135.04 22.57 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.667 2.245 . . . . 0.0 107.8 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.35 -174.89 4.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.777 0.799 . . . . 0.0 111.18 -175.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -128.1 -179.17 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 127.118 2.167 . . . . 0.0 107.65 167.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.61 -10.37 26.0 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.526 1.13 . . . . 0.0 112.923 -174.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.499 ' HB3' ' H ' ' A' ' 109' ' ' ILE . 3.0 m-20 -65.82 96.01 0.27 Allowed 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 165.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.5 mmpp? -51.75 -26.96 10.58 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.066 163.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 17.1 m -59.92 -57.42 12.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.144 0.884 . . . . 0.0 108.966 170.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.499 ' H ' ' HB3' ' A' ' 106' ' ' ASP . 7.2 mm -62.65 -46.06 97.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 125.602 1.561 . . . . 0.0 109.512 -172.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -49.32 -64.13 0.9 Allowed 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 125.217 1.407 . . . . 0.0 109.514 173.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.3 m -60.59 -39.33 87.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.53 0.732 . . . . 0.0 110.795 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.451 ' HB2' ' HA3' ' A' ' 49' ' ' GLY . 6.1 tp -55.97 -46.91 78.48 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 124.343 1.057 . . . . 0.0 109.236 173.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.2 -45.55 93.33 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.865 0.745 . . . . 0.0 111.362 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.06 -19.84 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 124.512 1.125 . . . . 0.0 110.871 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.64 -37.75 14.4 Favored 'General case' 0 C--O 1.225 -0.22 0 O-C-N 120.763 -1.21 . . . . 0.0 111.831 169.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 34.6 m -73.22 -35.08 66.23 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.915 1.234 . . . . 0.0 111.272 -173.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 22.7 p -58.23 -56.24 24.64 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.544 1.066 . . . . 0.0 108.27 170.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -61.08 -46.97 88.45 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 128.855 2.862 . . . . 0.0 111.893 -171.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -41.68 -57.63 2.24 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 125.716 1.606 . . . . 0.0 108.654 172.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.12 -11.0 60.58 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.463 -170.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -85.23 -33.03 22.31 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 120.48 1.491 . . . . 0.0 112.377 168.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.409 HG23 ' HB2' ' A' ' 127' ' ' TRP . 11.8 mm -55.12 -43.33 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 167.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -59.0 -45.41 90.72 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.129 0.972 . . . . 0.0 112.915 175.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -48.32 77.63 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 121.997 2.181 . . . . 0.0 111.483 173.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.26 -22.57 63.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.431 1.092 . . . . 0.0 110.599 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 52.5 t30 66.85 49.72 1.17 Allowed 'General case' 0 C--O 1.237 0.414 0 C-N-CA 129.086 2.955 . . . . 0.0 110.485 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.409 ' HB2' HG23 ' A' ' 122' ' ' ILE . 52.3 m0 -105.11 18.31 22.56 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.217 1.407 . . . . 0.0 114.235 -173.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 CA-C-N 121.082 1.765 . . . . 0.0 111.523 176.198 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -59.16 -28.05 66.23 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 124.969 1.308 . . . . 0.0 112.12 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -47.55 -64.17 0.86 Allowed 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.278 1.031 . . . . 0.0 109.904 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.1 p -84.02 -35.68 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 123.391 0.676 . . . . 0.0 112.396 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -41.63 76.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.956 -0.465 . . . . 0.0 111.024 -176.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -40.07 86.77 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 120.555 -1.341 . . . . 0.0 109.897 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -56.3 -49.55 73.97 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 127.016 2.126 . . . . 0.0 111.186 169.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.9 mt -59.71 -54.02 51.2 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.098 -1.001 . . . . 0.0 108.644 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.2 m -59.31 -14.45 11.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.904 1.282 . . . . 0.0 113.428 174.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.3 -66.55 0.9 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.43 -4.27 47.49 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -169.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -43.26 -54.6 4.47 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.146 0.978 . . . . 0.0 109.815 153.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.1 43.28 2.94 Favored Glycine 0 C--N 1.336 0.534 0 O-C-N 121.066 -1.021 . . . . 0.0 113.524 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -53.91 18.06 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.965 1.882 . . . . 0.0 109.295 171.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.12 25.69 0.16 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.87 1.268 . . . . 0.0 113.396 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 tp -62.95 -56.09 20.2 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.577 1.151 . . . . 0.0 111.58 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -29.55 70.23 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.56 -52.07 35.85 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.4 m -55.43 -38.61 69.22 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.087 0.955 . . . . 0.0 111.454 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -58.79 -63.27 1.35 Allowed 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.85 1.26 . . . . 0.0 109.019 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.49 -28.13 69.45 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 119.483 1.038 . . . . 0.0 112.581 -177.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -60.32 -58.43 8.55 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.484 1.114 . . . . 0.0 111.618 175.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.0 mtm -101.82 -0.3 34.44 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.003 0.521 . . . . 0.0 112.224 -169.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.7 m 58.97 81.8 0.16 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.411 2.285 . . . . 0.0 110.592 -171.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -115.39 129.19 56.5 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.8 p -69.42 166.53 18.51 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.221 1.008 . . . . 0.0 110.929 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -11.11 60.44 Favored 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 121.193 -0.942 . . . . 0.0 112.63 174.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.3 -28.74 68.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.199 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.486 HG22 HG22 ' A' ' 48' ' ' THR . 1.4 pt -68.67 -29.8 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 124.631 1.172 . . . . 0.0 110.345 176.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.39 -17.77 64.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.19 -0.944 . . . . 0.0 110.295 173.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.5 -55.1 8.51 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 120.39 1.45 . . . . 0.0 107.325 166.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.481 ' CG ' HG21 ' A' ' 48' ' ' THR . 2.4 p30 -75.29 -27.95 59.55 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 119.241 0.928 . . . . 0.0 112.126 -164.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -65.99 -45.98 79.68 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.233 0.924 . . . . 0.0 111.066 165.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -60.79 -49.33 77.92 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 119.697 1.135 . . . . 0.0 109.411 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.99 -4.74 48.54 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 126.251 1.821 . . . . 0.0 111.576 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -52.07 -44.69 64.46 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 121.501 1.955 . . . . 0.0 112.091 -165.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.3 m95 -82.86 38.51 0.58 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.363 1.065 . . . . 0.0 112.622 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 170.49 10.16 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.976 1.71 . . . . 0.0 111.633 175.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.35 61.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.696 1.998 . . . . 0.0 112.382 -167.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.84 58.43 1.04 Allowed Glycine 0 N--CA 1.454 -0.116 0 N-CA-C 108.197 -1.961 . . . . 0.0 108.197 -174.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -90.09 166.97 13.1 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.233 1.413 . . . . 0.0 108.807 162.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -133.84 148.78 51.34 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.317 1.447 . . . . 0.0 112.603 168.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.7 mt -123.5 121.68 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 127.982 2.513 . . . . 0.0 105.84 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -136.83 -17.76 1.41 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -56.02 110.71 0.79 Allowed 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -22.33 38.21 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 119.624 1.102 . . . . 0.0 110.591 171.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -52.22 -37.29 54.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.24 2.216 . . . . 0.0 111.478 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.486 HG22 HG22 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -81.05 -36.27 30.72 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -178.839 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.41 -56.19 16.28 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 126.985 2.231 . . . . 0.0 109.248 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.62 -31.49 72.73 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.508 -0.995 . . . . 0.0 113.329 174.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.5 76.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.941 1.246 . . . . 0.0 110.323 172.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.9 mt -60.85 -41.34 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 125.275 1.43 . . . . 0.0 109.087 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 34.5 ttp -59.56 -46.44 88.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.101 0.56 . . . . 0.0 110.761 172.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.82 -48.08 83.13 Favored 'General case' 0 C--N 1.342 0.246 0 O-C-N 121.546 -0.721 . . . . 0.0 111.645 177.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.86 -39.81 95.55 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.406 -0.809 . . . . 0.0 110.022 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 m -56.51 -53.61 55.47 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.804 172.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -48.13 -49.18 33.13 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.38 0.991 . . . . 0.0 111.668 170.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -67.7 -20.1 65.24 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 121.283 -0.886 . . . . 0.0 112.283 -172.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.7 mt -98.77 14.45 28.73 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.181 1.392 . . . . 0.0 110.02 176.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 50.78 36.89 15.49 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 128.672 2.789 . . . . 0.0 111.526 -174.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.9 mtt -85.92 9.7 16.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 117.877 -1.059 . . . . 0.0 111.837 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.3 mt -119.47 116.49 26.23 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 120.322 1.419 . . . . 0.0 108.39 175.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.4 170.62 1.24 Allowed Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 126.42 1.888 . . . . 0.0 109.696 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -75.25 41.75 0.8 Allowed 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.963 3.109 . . . . 0.0 112.611 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -137.23 -27.66 0.96 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 126.182 1.793 . . . . 0.0 109.958 166.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.8 24.77 7.55 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.803 1.192 . . . . 0.0 114.31 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -115.4 169.89 8.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.219 1.509 . . . . 0.0 108.37 168.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.86 116.26 2.44 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.766 1.626 . . . . 0.0 111.093 -173.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -74.42 87.3 2.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.395 1.478 . . . . 0.0 107.842 173.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -51.58 -36.87 47.26 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.381 1.073 . . . . 0.0 111.779 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.49 -75.4 0.23 Allowed Glycine 0 CA--C 1.527 0.807 0 C-N-CA 125.641 1.591 . . . . 0.0 113.477 170.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -66.69 -25.75 66.7 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.314 1.557 . . . . 0.0 112.459 -171.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.57 87.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.557 0.743 . . . . 0.0 111.192 168.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.7 ttm -77.77 -29.82 51.14 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.888 -1.133 . . . . 0.0 112.013 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -55.57 -55.38 32.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.491 1.116 . . . . 0.0 108.477 168.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -50.39 -51.72 43.64 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 124.289 0.993 . . . . 0.0 108.963 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.41 -62.08 1.91 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.004 0.82 . . . . 0.0 113.086 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -39.86 85.14 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.216 -0.928 . . . . 0.0 112.085 -173.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -50.61 -33.64 22.94 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 126.66 1.984 . . . . 0.0 112.902 177.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -90.45 -9.72 46.42 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.836 0.854 . . . . 0.0 112.322 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.84 16.15 12.03 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.496 1.046 . . . . 0.0 113.604 -175.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.97 147.74 52.85 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 119.576 1.688 . . . . 0.0 110.796 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -67.52 159.68 29.21 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.306 167.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -45.04 94.08 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 172.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -31.4 70.33 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.972 0.909 . . . . 0.0 110.941 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.3 ttp -74.33 -51.53 14.9 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 120.737 -1.227 . . . . 0.0 108.347 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.41 -36.92 76.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 122.914 0.485 . . . . 0.0 111.428 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -65.6 -44.66 85.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 117.292 -1.337 . . . . 0.0 109.654 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -57.56 -48.14 80.13 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 120.543 1.519 . . . . 0.0 111.357 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.6 mt -59.37 -34.38 72.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 124.372 1.069 . . . . 0.0 111.097 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -39.82 16.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-O 117.299 -1.334 . . . . 0.0 111.567 172.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.92 -37.31 81.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 120.922 1.692 . . . . 0.0 110.971 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 67.9 mt -78.31 -45.36 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 124.189 0.996 . . . . 0.0 109.448 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.04 -46.84 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.97 0.805 . . . . 0.0 110.616 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.55 ' CD2' ' HE2' ' A' ' 99' ' ' LYS . 17.9 t-160 -58.07 -50.09 74.67 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 178.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.12 15.95 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 C-N-CA 128.148 2.785 . . . . 0.0 115.009 174.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 10.3 m -133.0 -29.4 1.45 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 116.192 -1.861 . . . . 0.0 111.599 165.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -54.98 -22.07 13.97 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 123.435 2.834 . . . . 0.0 112.867 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.55 ' HE2' ' CD2' ' A' ' 95' ' ' HIS . 0.4 OUTLIER -121.89 -25.54 4.98 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 119.807 -1.808 . . . . 0.0 113.417 177.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 m -80.54 -33.11 36.52 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.45 1.5 . . . . 0.0 112.943 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.7 m -75.91 114.4 36.67 Favored Pre-proline 0 N--CA 1.45 -0.465 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 170.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -71.33 147.72 53.59 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.533 2.155 . . . . 0.0 109.449 171.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -155.97 174.1 15.83 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.937 -0.477 . . . . 0.0 110.269 168.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.55 ' HB2' ' H ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -65.28 177.42 1.09 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.946 0.898 . . . . 0.0 109.374 162.786 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -0.57 1.49 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.152 0.981 . . . . 0.0 112.182 162.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.55 ' H ' ' HB2' ' A' ' 104' ' ' ASN . 6.8 t70 -74.97 94.42 2.84 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 120.376 -1.453 . . . . 0.0 109.572 175.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.601 ' HE2' ' CE3' ' A' ' 110' ' ' TRP . 13.5 mmmm -67.21 -24.49 65.85 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.21 -0.932 . . . . 0.0 111.673 -171.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 65.0 m -58.89 -54.34 48.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 169.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.4 mm -59.26 -44.13 91.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 123.893 0.877 . . . . 0.0 110.308 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.601 ' CE3' ' HE2' ' A' ' 107' ' ' LYS . 30.1 t90 -57.07 -63.52 1.18 Allowed 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 125.623 1.569 . . . . 0.0 111.556 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -60.5 -33.95 73.35 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 118.648 0.658 . . . . 0.0 110.434 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.22 -55.17 9.08 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.41 1.084 . . . . 0.0 108.988 168.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.53 -38.23 94.58 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.671 1.129 . . . . 0.0 113.158 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.37 -34.94 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 118.349 1.075 . . . . 0.0 110.38 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.17 67.55 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 120.891 -1.13 . . . . 0.0 110.981 170.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 m -60.82 -40.54 93.12 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 120.143 1.338 . . . . 0.0 112.126 -171.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 5.0 p -66.53 -59.8 3.3 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.399 0.679 . . . . 0.0 109.956 171.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.48 ' CE1' HD11 ' A' ' 122' ' ' ILE . 63.1 t80 -49.23 -50.3 39.17 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 124.941 1.296 . . . . 0.0 111.063 -174.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.04 -55.9 3.02 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 126.073 1.749 . . . . 0.0 110.703 172.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.02 -32.97 72.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 122.203 0.201 . . . . 0.0 111.115 -172.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -70.78 -38.55 73.39 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.245 1.418 . . . . 0.0 109.503 177.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' A' ' 118' ' ' PHE . 7.0 mm -62.91 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 CA-C-N 119.489 1.04 . . . . 0.0 109.678 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -57.66 -45.52 85.44 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 119.205 -0.426 . . . . 0.0 110.22 176.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -59.2 -44.22 92.25 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.777 0.717 . . . . 0.0 111.576 175.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.0 mt -65.18 -8.03 15.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.767 1.227 . . . . 0.0 112.874 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 56.27 22.51 6.28 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.403 1.881 . . . . 0.0 112.025 -170.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 46.8 m0 -82.65 46.35 1.06 Allowed 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.682 -1.261 . . . . 0.0 109.301 177.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 116.9 -1.524 . . . . 0.0 107.815 177.025 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 117.376 -1.297 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . 0.351 1.1 tt0 21.47 -76.4 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 130.154 3.382 . . . . 0.0 116.236 159.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -52.72 -47.21 67.5 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.774 2.03 . . . . 0.0 110.387 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.6 t -69.45 -34.23 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.562 1.145 . . . . 0.0 110.584 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -48.48 81.56 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.877 1.217 . . . . 0.0 109.065 176.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -58.08 -51.27 70.38 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 123.688 0.795 . . . . 0.0 109.598 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.71 -40.84 84.87 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.37 -50.78 72.23 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.207 -0.933 . . . . 0.0 109.23 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -58.37 -28.24 64.97 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.665 1.186 . . . . 0.0 111.295 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -80.57 -47.0 14.82 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 126.668 1.987 . . . . 0.0 109.759 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -82.55 -27.02 31.88 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.506 0.722 . . . . 0.0 111.937 -177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -54.7 -54.87 36.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 157.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.22 47.27 3.79 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.3 -0.722 . . . . 0.0 113.961 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -100.97 -41.4 6.82 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 117.11 -1.424 . . . . 0.0 113.247 174.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.574 ' HB1' ' CE ' ' A' ' 58' ' ' LYS . . . -76.97 27.48 0.14 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 121.025 1.738 . . . . 0.0 113.111 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.72 -56.39 22.45 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.856 -1.152 . . . . 0.0 111.108 -172.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -62.89 -36.33 82.99 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.238 1.015 . . . . 0.0 110.157 -173.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -56.42 -58.77 6.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 170.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.1 m -59.83 -29.42 68.25 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -66.11 -56.81 9.62 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 124.312 1.045 . . . . 0.0 109.374 173.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -66.14 -33.3 75.47 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.617 0.644 . . . . 0.0 110.847 -176.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -57.11 -31.85 65.73 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.879 1.272 . . . . 0.0 113.56 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mtm -127.2 -0.09 6.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -168.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 m 49.99 81.63 0.06 Allowed 'General case' 0 C--O 1.236 0.393 0 C-N-CA 124.501 1.12 . . . . 0.0 109.666 -159.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -112.44 136.65 51.68 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 170.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.7 p -66.82 154.65 40.35 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.584 0.553 . . . . 0.0 111.012 -174.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.3 -20.61 63.01 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 123.226 0.61 . . . . 0.0 110.627 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.04 -10.89 6.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.175 1.79 . . . . 0.0 114.255 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.3 pt -74.45 -16.91 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 119.203 0.911 . . . . 0.0 111.831 169.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -59.09 -51.94 67.89 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -52.8 -41.71 64.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.699 0.681 . . . . 0.0 111.298 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -68.16 -49.01 63.77 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.319 0.508 . . . . 0.0 110.795 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -62.45 -40.23 95.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 118.819 0.736 . . . . 0.0 111.713 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -60.58 -52.08 66.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 126.026 1.73 . . . . 0.0 109.058 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -89.56 8.24 32.24 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.288 0.635 . . . . 0.0 112.214 -174.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -50.76 -42.19 57.47 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.778 1.631 . . . . 0.0 110.929 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -85.22 17.69 2.93 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -65.47 166.97 9.43 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 120.504 1.502 . . . . 0.0 111.238 174.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -94.35 24.41 4.49 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 126.15 1.78 . . . . 0.0 113.731 -167.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 164.77 31.06 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 C-N-CA 124.519 1.057 . . . . 0.0 111.695 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -82.61 146.66 29.01 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.334 0.654 . . . . 0.0 109.41 -176.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -122.08 133.92 54.77 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 122.419 1.104 . . . . 0.0 110.321 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.7 mt -101.35 122.89 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 104.145 -2.539 . . . . 0.0 104.145 -175.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -142.02 -20.52 0.72 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.403 -173.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.69 110.53 2.4 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 174.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -53.26 -29.12 31.21 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.806 0.73 . . . . 0.0 110.239 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.15 -29.05 63.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.121 1.368 . . . . 0.0 112.621 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.6 p -69.78 -47.25 63.58 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 119.558 1.072 . . . . 0.0 108.708 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -55.76 -43.29 86.82 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 124.674 1.13 . . . . 0.0 112.095 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -32.35 61.34 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 118.333 -0.842 . . . . 0.0 112.584 177.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.79 80.31 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.966 1.257 . . . . 0.0 109.643 170.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.9 mt -51.96 -56.19 7.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 C-N-CA 124.604 1.162 . . . . 0.0 108.067 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -55.76 -45.79 78.0 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.31 0.959 . . . . 0.0 111.96 -177.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.67 -47.4 82.41 Favored 'General case' 0 C--O 1.225 -0.201 0 O-C-N 122.026 -0.421 . . . . 0.0 110.618 174.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.68 -44.81 95.3 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.12 -0.987 . . . . 0.0 109.857 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 m -53.22 -49.17 67.34 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.662 1.119 . . . . 0.0 110.262 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -52.3 -55.74 19.41 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.902 -1.124 . . . . 0.0 110.723 171.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.574 ' CE ' ' HB1' ' A' ' 15' ' ' ALA . 3.9 mmmt -62.21 -27.38 68.94 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.312 -0.867 . . . . 0.0 111.189 -172.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.6 mt -84.73 10.83 10.33 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.082 1.353 . . . . 0.0 110.963 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 t30 41.78 46.78 3.42 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 128.454 2.702 . . . . 0.0 110.372 -171.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.97 -1.64 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.778 -169.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.6 mt -100.09 137.01 39.11 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 123.549 0.74 . . . . 0.0 109.757 -172.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.38 162.33 1.22 Allowed Pre-proline 0 C--O 1.239 0.506 0 C-N-CA 128.141 2.576 . . . . 0.0 108.456 166.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.03 6.67 0.98 Allowed 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 122.49 2.127 . . . . 0.0 111.784 173.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -114.05 -8.89 13.02 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 128.623 2.769 . . . . 0.0 110.54 -173.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.16 33.48 32.41 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 125.054 1.311 . . . . 0.0 112.644 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -124.42 -171.57 2.37 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 128.094 2.558 . . . . 0.0 107.635 177.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.8 HD13 ' H ' ' A' ' 70' ' ' HIS . 2.1 tm? -70.24 128.28 35.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.348 1.431 . . . . 0.0 109.57 177.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -73.34 -14.92 61.38 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -176.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.8 ' H ' HD13 ' A' ' 68' ' ' LEU . 26.9 m80 67.28 -55.88 0.45 Allowed 'General case' 0 C--O 1.232 0.153 0 C-N-CA 128.984 2.913 . . . . 0.0 112.219 -166.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.4 -72.45 0.57 Allowed Glycine 0 CA--C 1.526 0.778 0 C-N-CA 125.056 1.313 . . . . 0.0 113.057 -174.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -57.86 -40.14 79.43 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.623 -174.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.9 -59.93 2.05 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.916 1.286 . . . . 0.0 110.134 169.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.1 ttm -65.12 -43.98 90.21 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -60.13 -47.04 87.56 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -58.15 -44.22 87.77 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 124.351 1.061 . . . . 0.0 110.797 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.34 -61.89 2.24 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 123.173 0.589 . . . . 0.0 109.607 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -57.55 -34.46 69.19 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.583 -0.698 . . . . 0.0 111.896 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -54.78 -38.55 67.39 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.805 1.242 . . . . 0.0 112.527 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -78.63 6.86 7.84 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.138 0.575 . . . . 0.0 112.015 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.37 5.33 85.2 Favored Glycine 0 CA--C 1.526 0.741 0 CA-C-O 119.023 -0.876 . . . . 0.0 112.229 -174.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.54 148.49 48.63 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 118.456 1.128 . . . . 0.0 110.256 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.61 153.13 36.88 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.276 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -53.2 57.03 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 127.39 2.276 . . . . 0.0 109.197 175.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 83.8 m -65.06 -47.55 76.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.664 1.586 . . . . 0.0 110.875 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.5 ttm -52.43 -51.91 56.74 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.46 -38.53 87.56 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.559 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -58.19 -53.4 58.72 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.97 0.804 . . . . 0.0 109.262 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -59.25 -41.0 87.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.57 1.148 . . . . 0.0 111.922 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.8 mt -64.62 -14.62 58.81 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 117.959 -1.02 . . . . 0.0 111.586 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.25 -51.25 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-O 116.629 -1.653 . . . . 0.0 110.698 163.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.1 -28.91 69.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 121.114 1.779 . . . . 0.0 112.149 -165.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 53.5 mt -70.61 -48.81 56.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.55 -58.28 8.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 125.183 1.393 . . . . 0.0 110.413 -173.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -56.62 -38.34 71.96 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 123.866 0.867 . . . . 0.0 109.052 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.23 7.6 2.46 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.893 2.187 . . . . 0.0 114.429 174.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 59.7 m -124.12 -35.57 2.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 126.601 1.961 . . . . 0.0 110.498 169.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.67 -25.59 0.5 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 122.062 2.21 . . . . 0.0 115.136 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.24 -36.75 3.31 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 125.383 1.473 . . . . 0.0 112.023 172.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -40.31 95.47 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.636 0.774 . . . . 0.0 112.043 -175.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.8 m -63.34 120.05 58.63 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 124.718 1.207 . . . . 0.0 109.572 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.18 129.3 11.2 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.013 2.475 . . . . 0.0 109.395 175.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -136.26 174.14 10.94 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.288 0.635 . . . . 0.0 111.0 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.11 176.96 8.44 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 156.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.74 -6.0 4.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.962 0.905 . . . . 0.0 112.5 169.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -67.15 96.04 0.44 Allowed 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 120.707 -1.245 . . . . 0.0 108.504 176.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.653 ' HE3' ' CE3' ' A' ' 110' ' ' TRP . 8.2 mmmt -57.86 -24.46 57.61 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.087 -1.008 . . . . 0.0 113.092 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.2 m -61.75 -52.96 62.1 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 170.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.4 -42.88 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.137 1.775 . . . . 0.0 109.109 -173.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.653 ' CE3' ' HE3' ' A' ' 107' ' ' LYS . 29.3 t90 -47.61 -63.63 1.0 Allowed 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 125.309 1.444 . . . . 0.0 109.527 171.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.7 m -60.58 -38.52 84.88 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.088 0.555 . . . . 0.0 111.382 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.84 -49.87 57.97 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.664 1.586 . . . . 0.0 110.145 172.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.59 -42.72 87.71 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 124.76 1.171 . . . . 0.0 112.085 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.32 -24.53 33.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 117.721 0.761 . . . . 0.0 110.753 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -83.04 -41.72 18.33 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 120.898 -1.126 . . . . 0.0 111.907 168.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.0 m -61.02 -43.57 98.69 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.122 1.328 . . . . 0.0 110.719 -172.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 17.8 p -61.66 -51.71 67.33 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.486 0.66 . . . . 0.0 109.931 178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.76 -48.14 83.15 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.309 2.244 . . . . 0.0 110.057 -175.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -47.53 -54.18 12.37 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.166 0.986 . . . . 0.0 109.74 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.67 73.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.525 ' HA ' ' HE3' ' A' ' 124' ' ' LYS . 8.9 mm-40 -63.8 -43.11 97.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.211 0.914 . . . . 0.0 111.075 171.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.2 mm -57.66 -47.16 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.19 0.905 . . . . 0.0 108.853 175.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -56.02 -50.05 71.97 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.056 0.543 . . . . 0.0 111.412 173.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.525 ' HE3' ' HA ' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -59.71 -41.26 90.39 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 119.957 -1.714 . . . . 0.0 112.555 178.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.79 -7.52 16.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.901 1.681 . . . . 0.0 112.337 172.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 51.9 t30 59.58 26.23 15.23 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.549 1.94 . . . . 0.0 112.041 -173.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -91.01 -8.04 50.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.561 1.945 . . . . 0.0 112.907 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-N 119.593 1.088 . . . . 0.0 108.279 179.351 . . . . . . . . 0 0 . 1 stop_ save_